Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:50:58 UTC

Update Date

2022-03-07 02:53:25 UTC

HMDB ID

HMDB0032646

Secondary Accession Numbers

HMDB32646

Metabolite Identification

Common Name

Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)

Description

Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061306372D          

 39 42  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 16  1  0  0  0  0
 32 20  2  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 26  2  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 17  1  0  0  0  0
 39 25  1  0  0  0  0
M  END

HMDB0032646
     RDKit          3D
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
 63 66  0  0  0  0  0  0  0  0999 V2000
    4.2334   -2.9131   -0.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -1.7357   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.7192   -0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028   -0.8831   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.5652   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    0.7010   -1.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.0139   -1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852    0.2338   -1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.6682   -3.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.8529   -3.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.9130   -3.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193    0.7496   -3.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9780    1.0084   -3.9703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033    0.3107   -1.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1228   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1736   -0.1301   -2.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873    0.1745   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6586   -0.7501    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2072   -0.6937    1.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8340    0.2604    2.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4085    0.3002    3.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8658    1.1778    2.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4812    2.1401    3.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3027    1.1456    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    0.0559   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.4002    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299    0.1092    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -1.1457    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    0.7991    1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    1.9684    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    1.1386    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    2.5221    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -1.5051    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784   -2.5631    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0515   -2.3950    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5462   -1.1095    1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8286   -0.9271    1.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683   -0.0522    1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4869   -0.2325    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -1.4548   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -1.3716   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    1.0674   -1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676   -1.1239   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    1.2138   -4.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423    1.2543   -4.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134    1.3226   -4.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033   -1.5311   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9756   -1.4226    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1084   -0.3997    4.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8652    2.2045    3.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    1.8624    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847   -0.6213    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085    0.7695    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -1.2948    1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    0.1214    1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    2.0740    2.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521    0.7971    0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    2.8457    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3993   -3.5625    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6796   -3.2298    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0295   -0.8319    2.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    0.9454    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8720    0.6177    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 14 25  2  0
 25 26  1  0
  7 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  2 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 31  5  1  0
 39 33  1  0
 25  8  1  0
 24 17  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  7 43  1  0
 10 44  1  0
 11 45  1  0
 13 46  1  0
 18 47  1  0
 19 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  1  0
 29 55  1  0
 30 56  1  0
 31 57  1  0
 32 58  1  0
 34 59  1  0
 35 60  1  0
 37 61  1  0
 38 62  1  0
 39 63  1  0
M  END


  Mrv0541 05061306372D          

 39 42  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 16  1  0  0  0  0
 32 20  2  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 26  2  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 17  1  0  0  0  0
 39 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032646

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2

> <INCHI_KEY>
NJIPOSKZXKMYEM-UHFFFAOYSA-N

> <FORMULA>
C26H24O13

> <MOLECULAR_WEIGHT>
544.461

> <EXACT_MASS>
544.121690854

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
52.64512448706797

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

> <ALOGPS_LOGP>
1.36

> <JCHEM_LOGP>
2.649185867

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.867825491516366

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.244175166357852

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649145589568131

> <JCHEM_POLAR_SURFACE_AREA>
234.66999999999993

> <JCHEM_REFRACTIVITY>
131.45919999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032646
     RDKit          3D
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
 63 66  0  0  0  0  0  0  0  0999 V2000
    4.2334   -2.9131   -0.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -1.7357   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.7192   -0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028   -0.8831   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.5652   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    0.7010   -1.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.0139   -1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852    0.2338   -1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.6682   -3.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.8529   -3.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.9130   -3.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193    0.7496   -3.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9780    1.0084   -3.9703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033    0.3107   -1.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1228   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1736   -0.1301   -2.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873    0.1745   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6586   -0.7501    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2072   -0.6937    1.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8340    0.2604    2.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4085    0.3002    3.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8658    1.1778    2.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4812    2.1401    3.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3027    1.1456    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    0.0559   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.4002    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299    0.1092    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -1.1457    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    0.7991    1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    1.9684    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    1.1386    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    2.5221    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -1.5051    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784   -2.5631    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0515   -2.3950    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5462   -1.1095    1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8286   -0.9271    1.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683   -0.0522    1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4869   -0.2325    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -1.4548   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -1.3716   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    1.0674   -1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676   -1.1239   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    1.2138   -4.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423    1.2543   -4.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134    1.3226   -4.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033   -1.5311   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9756   -1.4226    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1084   -0.3997    4.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8652    2.2045    3.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    1.8624    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847   -0.6213    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085    0.7695    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -1.2948    1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    0.1214    1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    2.0740    2.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521    0.7971    0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    2.8457    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3993   -3.5625    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6796   -3.2298    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0295   -0.8319    2.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    0.9454    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8720    0.6177    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 14 25  2  0
 25 26  1  0
  7 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  2 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 31  5  1  0
 39 33  1  0
 25  8  1  0
 24 17  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  7 43  1  0
 10 44  1  0
 11 45  1  0
 13 46  1  0
 18 47  1  0
 19 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  1  0
 29 55  1  0
 30 56  1  0
 31 57  1  0
 32 58  1  0
 34 59  1  0
 35 60  1  0
 37 61  1  0
 38 62  1  0
 39 63  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334 -19.250   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000 -18.480   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667 -16.940   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002 -18.480   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000 -16.940   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668 -19.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334 -16.170   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.668 -20.790   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001 -20.790   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -9.336 -14.630   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -5.335 -13.860   0.000  0.00  0.00           O+0
CONECT    1    4   10                                                       
CONECT    2    5   10                                                       
CONECT    3    6   11                                                       
CONECT    4    1   12                                                       
CONECT    5    2   12                                                       
CONECT    6    3   13                                                       
CONECT    7   11   14                                                       
CONECT    8   15   16                                                       
CONECT    9   17   38                                                       
CONECT   10    1    2   26                                                  
CONECT   11    3    7   20                                                  
CONECT   12    4    5   27                                                  
CONECT   13    6   14   28                                                  
CONECT   14    7   13   29                                                  
CONECT   15    8   18   30                                                  
CONECT   16    8   19   31                                                  
CONECT   17    9   21   39                                                  
CONECT   18   15   20   22                                                  
CONECT   19   16   22   25                                                  
CONECT   20   11   18   32                                                  
CONECT   21   17   23   33                                                  
CONECT   22   18   19   34                                                  
CONECT   23   21   24   35                                                  
CONECT   24   23   25   36                                                  
CONECT   25   19   24   39                                                  
CONECT   26   10   37   38                                                  
CONECT   27   12                                                            
CONECT   28   13                                                            
CONECT   29   14                                                            
CONECT   30   15                                                            
CONECT   31   16                                                            
CONECT   32   20                                                            
CONECT   33   21                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   24                                                            
CONECT   37   26                                                            
CONECT   38    9   26                                                       
CONECT   39   17   25                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

COMPND    HMDB0032646
HETATM    1  O1  UNL     1       4.233  -2.913  -0.342  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.653  -1.736  -0.192  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.813  -0.719  -0.569  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.503  -0.883  -1.115  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.006   0.565  -1.250  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.765   0.701  -1.777  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.193  -0.014  -1.110  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.485   0.234  -1.794  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.438   0.668  -3.113  1.00  0.00           C  
HETATM   10  O4  UNL     1      -0.229   0.853  -3.741  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.597   0.913  -3.800  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.819   0.750  -3.247  1.00  0.00           C  
HETATM   13  O5  UNL     1      -4.978   1.008  -3.970  1.00  0.00           O  
HETATM   14  C9  UNL     1      -3.903   0.311  -1.917  1.00  0.00           C  
HETATM   15  C10 UNL     1      -5.221   0.123  -1.393  1.00  0.00           C  
HETATM   16  O6  UNL     1      -6.174  -0.130  -2.259  1.00  0.00           O  
HETATM   17  C11 UNL     1      -5.687   0.174  -0.035  1.00  0.00           C  
HETATM   18  C12 UNL     1      -6.659  -0.750   0.348  1.00  0.00           C  
HETATM   19  C13 UNL     1      -7.207  -0.694   1.602  1.00  0.00           C  
HETATM   20  C14 UNL     1      -6.834   0.260   2.529  1.00  0.00           C  
HETATM   21  O7  UNL     1      -7.408   0.300   3.805  1.00  0.00           O  
HETATM   22  C15 UNL     1      -5.866   1.178   2.138  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.481   2.140   3.057  1.00  0.00           O  
HETATM   24  C16 UNL     1      -5.303   1.146   0.895  1.00  0.00           C  
HETATM   25  C17 UNL     1      -2.739   0.056  -1.215  1.00  0.00           C  
HETATM   26  O9  UNL     1      -2.739  -0.400   0.072  1.00  0.00           O  
HETATM   27  C18 UNL     1      -0.230   0.109   0.361  1.00  0.00           C  
HETATM   28  O10 UNL     1      -0.464  -1.146   0.926  1.00  0.00           O  
HETATM   29  C19 UNL     1       0.945   0.799   1.017  1.00  0.00           C  
HETATM   30  O11 UNL     1       0.536   1.968   1.710  1.00  0.00           O  
HETATM   31  C20 UNL     1       2.094   1.139   0.158  1.00  0.00           C  
HETATM   32  O12 UNL     1       2.221   2.522   0.054  1.00  0.00           O  
HETATM   33  C21 UNL     1       5.985  -1.505   0.364  1.00  0.00           C  
HETATM   34  C22 UNL     1       6.778  -2.563   0.727  1.00  0.00           C  
HETATM   35  C23 UNL     1       8.051  -2.395   1.263  1.00  0.00           C  
HETATM   36  C24 UNL     1       8.546  -1.110   1.441  1.00  0.00           C  
HETATM   37  O13 UNL     1       9.829  -0.927   1.981  1.00  0.00           O  
HETATM   38  C25 UNL     1       7.768  -0.052   1.085  1.00  0.00           C  
HETATM   39  C26 UNL     1       6.487  -0.233   0.546  1.00  0.00           C  
HETATM   40  H1  UNL     1       1.849  -1.455  -0.459  1.00  0.00           H  
HETATM   41  H2  UNL     1       2.544  -1.372  -2.098  1.00  0.00           H  
HETATM   42  H3  UNL     1       2.745   1.067  -1.904  1.00  0.00           H  
HETATM   43  H4  UNL     1       0.068  -1.124  -1.373  1.00  0.00           H  
HETATM   44  H5  UNL     1      -0.076   1.214  -4.655  1.00  0.00           H  
HETATM   45  H6  UNL     1      -2.542   1.254  -4.833  1.00  0.00           H  
HETATM   46  H7  UNL     1      -4.913   1.323  -4.924  1.00  0.00           H  
HETATM   47  H8  UNL     1      -7.003  -1.531  -0.332  1.00  0.00           H  
HETATM   48  H9  UNL     1      -7.976  -1.423   1.913  1.00  0.00           H  
HETATM   49  H10 UNL     1      -8.108  -0.400   4.010  1.00  0.00           H  
HETATM   50  H11 UNL     1      -5.865   2.204   3.977  1.00  0.00           H  
HETATM   51  H12 UNL     1      -4.552   1.862   0.603  1.00  0.00           H  
HETATM   52  H13 UNL     1      -3.485  -0.621   0.632  1.00  0.00           H  
HETATM   53  H14 UNL     1      -1.109   0.769   0.621  1.00  0.00           H  
HETATM   54  H15 UNL     1       0.258  -1.295   1.592  1.00  0.00           H  
HETATM   55  H16 UNL     1       1.281   0.121   1.860  1.00  0.00           H  
HETATM   56  H17 UNL     1       1.012   2.074   2.566  1.00  0.00           H  
HETATM   57  H18 UNL     1       3.052   0.797   0.647  1.00  0.00           H  
HETATM   58  H19 UNL     1       3.153   2.846   0.150  1.00  0.00           H  
HETATM   59  H20 UNL     1       6.399  -3.562   0.590  1.00  0.00           H  
HETATM   60  H21 UNL     1       8.680  -3.230   1.552  1.00  0.00           H  
HETATM   61  H22 UNL     1      10.030  -0.832   2.953  1.00  0.00           H  
HETATM   62  H23 UNL     1       8.129   0.945   1.214  1.00  0.00           H  
HETATM   63  H24 UNL     1       5.872   0.618   0.264  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   33
CONECT    3    4
CONECT    4    5   40   41
CONECT    5    6   31   42
CONECT    6    7
CONECT    7    8   27   43
CONECT    8    9    9   25
CONECT    9   10   11
CONECT   10   44
CONECT   11   12   12   45
CONECT   12   13   14
CONECT   13   46
CONECT   14   15   25   25
CONECT   15   16   16   17
CONECT   17   18   18   24
CONECT   18   19   47
CONECT   19   20   20   48
CONECT   20   21   22
CONECT   21   49
CONECT   22   23   24   24
CONECT   23   50
CONECT   24   51
CONECT   25   26
CONECT   26   52
CONECT   27   28   29   53
CONECT   28   54
CONECT   29   30   31   55
CONECT   30   56
CONECT   31   32   57
CONECT   32   58
CONECT   33   34   34   39
CONECT   34   35   59
CONECT   35   36   36   60
CONECT   36   37   38
CONECT   37   61
CONECT   38   39   39   62
CONECT   39   63
END

HMDB0032646
     RDKit          3D
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
 63 66  0  0  0  0  0  0  0  0999 V2000
    4.2334   -2.9131   -0.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -1.7357   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.7192   -0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028   -0.8831   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.5652   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    0.7010   -1.7772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.0139   -1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852    0.2338   -1.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.6682   -3.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290    0.8529   -3.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    0.9130   -3.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193    0.7496   -3.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9780    1.0084   -3.9703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033    0.3107   -1.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1228   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1736   -0.1301   -2.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873    0.1745   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6586   -0.7501    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2072   -0.6937    1.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8340    0.2604    2.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4085    0.3002    3.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8658    1.1778    2.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4812    2.1401    3.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3027    1.1456    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    0.0559   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.4002    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299    0.1092    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -1.1457    0.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    0.7991    1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    1.9684    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    1.1386    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    2.5221    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -1.5051    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784   -2.5631    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0515   -2.3950    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5462   -1.1095    1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8286   -0.9271    1.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683   -0.0522    1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4869   -0.2325    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -1.4548   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -1.3716   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    1.0674   -1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676   -1.1239   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    1.2138   -4.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423    1.2543   -4.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134    1.3226   -4.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033   -1.5311   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9756   -1.4226    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1084   -0.3997    4.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8652    2.2045    3.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    1.8624    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847   -0.6213    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085    0.7695    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -1.2948    1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    0.1214    1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    2.0740    2.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521    0.7971    0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    2.8457    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3993   -3.5625    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6796   -3.2298    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0295   -0.8319    2.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    0.9454    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8720    0.6177    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 14 25  2  0
 25 26  1  0
  7 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  2 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 31  5  1  0
 39 33  1  0
 25  8  1  0
 24 17  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  7 43  1  0
 10 44  1  0
 11 45  1  0
 13 46  1  0
 18 47  1  0
 19 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  1  0
 29 55  1  0
 30 56  1  0
 31 57  1  0
 32 58  1  0
 34 59  1  0
 35 60  1  0
 37 61  1  0
 38 62  1  0
 39 63  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoic acid	HMDB

Chemical Formula

C₂₆H₂₄O₁₃

Average Molecular Weight

544.461

Monoisotopic Molecular Weight

544.121690854

IUPAC Name

{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

Traditional Name

{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

CAS Registry Number

92665-82-2

SMILES

OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O

InChI Identifier

InChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2

InChI Key

NJIPOSKZXKMYEM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Benzophenone
Diphenylmethane
Aryl-phenylketone
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
C-glycosyl compound
Benzoate ester
Phloroglucinol derivative
Benzenetriol
Benzoic acid or derivatives
Aryl ketone
Benzoyl
Catechol
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Vinylogous acid
Ketone
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Dialkyl ether
Carboxylic acid derivative
Ether
Hydrocarbon derivative
Alcohol
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0032646)
Cytoplasm (HMDB: HMDB0032646)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032646)

Source

Endogenous

Endogenous (HMDB: HMDB0032646)

Plant

Plant (HMDB: HMDB0032646)

Exogenous

Food

Food (HMDB: HMDB0032646)

Fruit

Fruits (FooDB: FOOD00871)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.82 g/L	ALOGPS
logP	1.36	ALOGPS
logP	2.65	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	7.24	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	234.67 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	131.46 m³·mol⁻¹	ChemAxon
Polarizability	52.65 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	221.39	31661259
DarkChem	[M-H]-	217.078	31661259
DeepCCS	[M+H]+	213.62	30932474
DeepCCS	[M-H]-	211.225	30932474
DeepCCS	[M-2H]-	244.245	30932474
DeepCCS	[M+Na]+	219.45	30932474
AllCCS	[M+H]+	224.9	32859911
AllCCS	[M+H-H2O]+	223.1	32859911
AllCCS	[M+NH4]+	226.5	32859911
AllCCS	[M+Na]+	226.9	32859911
AllCCS	[M-H]-	220.1	32859911
AllCCS	[M+Na-2H]-	221.8	32859911
AllCCS	[M+HCOO]-	223.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)	OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O	6344.2	Standard polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)	OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O	4434.6	Standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)	OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C1O)C1=C(O)C=C(O)C(C(=O)C2=CC(O)=C(O)C=C2)=C1O	5248.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #1	C[Si](C)(C)OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C1O	5140.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #2	C[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O)C1O	5109.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5146.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #4	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)OC(COC(=O)C2=CC=C(O)C=C2)C(O)C1O	5106.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5141.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5136.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #7	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5147.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5142.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TMS,isomer #9	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5091.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #1	C[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O)C1O[Si](C)(C)C	5050.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5049.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5063.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O	5026.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #13	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O	5027.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #14	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	4992.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #15	C[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C1O	5036.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5064.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5092.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5034.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	5036.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	5023.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	5048.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	5021.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5031.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5054.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	5021.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	5023.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #26	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	4967.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #27	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5078.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5076.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #29	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5082.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5050.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5041.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5031.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5099.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #33	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5109.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #34	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	5042.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	5031.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	5042.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5081.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	5034.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #6	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	5036.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #7	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5005.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #8	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)OC(COC(=O)C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C	5041.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	5025.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4903.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4794.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4789.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1	4909.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4908.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #14	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4923.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4827.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #16	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4828.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	4912.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4900.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4954.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4900.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4948.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4891.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #22	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4886.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O	4850.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O	4862.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C	4839.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O	4857.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O	4856.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #28	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4895.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4885.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4954.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4947.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4819.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4812.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1	4919.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4905.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #35	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4932.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O	4848.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O	4848.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	4917.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4900.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4848.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4951.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4945.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O	4909.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O	4902.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4854.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4879.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4859.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4859.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4875.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #49	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4901.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #5	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4853.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	4952.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	4845.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4844.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4953.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4880.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	4917.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4915.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4996.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4948.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4862.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #6	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4900.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4894.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4809.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4894.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4806.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1	4905.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #65	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4920.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4836.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #67	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4835.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	4904.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4928.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #7	C[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4928.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4901.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #71	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4897.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O	4860.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C	4855.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #74	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O	4855.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #75	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4960.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	4922.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #77	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	4922.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4921.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4891.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4862.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4922.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4963.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #82	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4961.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4938.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4913.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4938.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4778.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4804.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4671.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1	4822.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #102	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4802.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #103	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4816.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #104	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4749.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #105	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4810.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #106	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4738.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #107	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1	4864.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #108	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4781.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #109	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4719.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4813.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #110	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1	4709.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1	4701.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #112	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4838.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4728.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #114	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4719.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O	4729.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C	4722.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #117	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O	4718.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O	4787.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #119	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O	4779.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4888.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C	4798.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #121	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4759.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #122	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4799.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #123	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4790.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #124	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4786.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #125	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4783.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4846.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4856.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4774.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4763.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O	4765.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O	4748.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C	4751.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #19	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O	4763.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4854.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O	4735.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #21	C[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4851.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4794.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4687.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4679.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1	4790.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4781.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4726.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4720.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1	4856.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4708.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4854.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1	4692.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1	4700.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4703.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1	4693.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4695.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	4815.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #37	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4809.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4830.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4717.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4698.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #40	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4710.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O	4698.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O	4716.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C	4703.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O	4691.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O	4704.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4806.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4853.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O	4772.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)=CC=C1O	4761.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4816.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O	4767.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)=CC=C1O	4753.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C	4761.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O	4736.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C	4749.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4731.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #56	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O	4723.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4825.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4677.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4669.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	4838.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1	4821.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4791.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4751.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4737.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1	4871.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4863.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1	4716.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1	4721.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4708.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1	4709.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4809.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4698.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	4826.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #72	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	4818.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #73	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4835.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O	4734.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #75	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)=CC=C1O	4723.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4709.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4731.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4725.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4702.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C=C1O	4699.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4718.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4822.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	4865.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O	4789.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #84	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)=CC=C1O	4778.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #85	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O	4800.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #86	C[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)=CC=C1O	4790.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #87	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C	4794.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #88	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1O	4759.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C=C1O[Si](C)(C)C	4765.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)=CC=C1O	4694.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #90	C[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4768.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #91	C[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC=C1O	4746.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	4767.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4761.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4887.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4826.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	4753.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4754.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1	4678.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C)=C4)=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1	4749.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C1O	5417.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O)C1O	5380.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5362.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)OC(COC(=O)C2=CC=C(O)C=C2)C(O)C1O	5398.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5372.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5352.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5383.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5376.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5356.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5516.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5483.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5516.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O	5459.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O	5462.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5513.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5520.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5526.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5560.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5509.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	5505.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5498.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1	5561.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5496.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5495.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5534.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O	5480.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O	5482.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5520.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5531.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5501.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5503.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5499.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5548.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5556.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5538.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5540.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5541.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5493.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5538.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5545.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O	5484.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O	5488.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5534.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)OC(COC(=O)C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5524.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5473.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	5550.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5554.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5537.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5589.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5572.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5583.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O	5549.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O	5538.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5587.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5555.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5609.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5538.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5614.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O	5591.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O	5576.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O	5540.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5558.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5538.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O	5530.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5546.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5566.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5538.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5589.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5593.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5517.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5506.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5570.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5572.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5560.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O	5518.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O	5507.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5557.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5557.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C=C1O	5525.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5610.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5585.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O	5551.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)=CC=C1O	5539.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O	5545.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5523.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5507.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O	5535.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5516.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5575.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)=CC=C1O	5515.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5642.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5609.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	5598.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1	5633.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5556.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O)C(O)C2O)C=C1	5652.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	5638.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1	5664.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5622.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O)C(O)C2O)C=C1	5592.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(C(=O)C2=CC=C(O)C(O)=C2)C(O)=CC(O)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5556.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1	5617.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5543.7	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1	5607.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5532.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5586.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1C(=O)C1=CC=C(O)C(O)=C1	5580.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O	5537.2	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O	5527.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C(=O)C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1C1OC(COC(=O)C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5579.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5603.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC=C(O)C=C2)OC(C2=C(O)C=C(O)C(C(=O)C3=CC=C(O)C(O)=C3)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5570.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O	5581.1	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)=CC=C1O	5570.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5541.5	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5533.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5534.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1C(=O)C1=CC=C(O)C(O)=C1	5618.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O	5610.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)=CC=C1O	5598.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5604.4	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5582.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5559.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5595.3	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	5628.8	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)=CC=C1O	5620.9	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O)C=C1O[Si](C)(C)C(C)(C)C	5611.6	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)C2=C(O)C=C(O)C(C3OC(COC(=O)C4=CC=C(O)C=C4)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	5581.0	Semi standard non polar	33892256
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)OCC2OC(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C(=O)C4=CC=C(O)C(O)=C4)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5620.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (Non-derivatized) - 70eV, Positive	splash10-00fr-1797230000-8b4c9abfa791677e5e8e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (2 TMS) - 70eV, Positive	splash10-00di-1691133000-24e572cd9191a41d472f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 10V, Negative-QTOF	splash10-000f-1921270000-9bf19e8e6fa7119e4874	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 20V, Negative-QTOF	splash10-000i-2911100000-366d589eb569845f832b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 40V, Negative-QTOF	splash10-000l-4900000000-97a7750da5dfb25bd40b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 10V, Negative-QTOF	splash10-06r6-2590770000-5850f61cfe9aff489608	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 20V, Negative-QTOF	splash10-0006-9210110000-4405f25ecaf5ea1bd8a4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 40V, Negative-QTOF	splash10-0006-9230000000-9fa8f8fdee2225c7b956	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 10V, Positive-QTOF	splash10-05bb-0610490000-f013d1c7284c6dca9a14	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 20V, Positive-QTOF	splash10-05g0-0931430000-43b3def87a35f715ed10	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 40V, Positive-QTOF	splash10-0079-1930010000-904e04bfd1a53e382a96	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 10V, Positive-QTOF	splash10-0002-1310290000-158febde1875c6faf76d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 20V, Positive-QTOF	splash10-05g4-2911100000-300e924ec0d99af7483b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) 40V, Positive-QTOF	splash10-00r6-7900010000-272a6832324860cde73b	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010595

KNApSAcK ID

Not Available

Chemspider ID

35013459

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751271

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) (HMDB0032646)

MOL for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

3D MOL for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

3D SDF for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

3D-SDF for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

PDB for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

3D PDB for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

SMILES for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

INCHI for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

Structure for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

3D Structure for HMDB0032646 (Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra