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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:11:04 UTC

Update Date

2022-03-07 02:56:40 UTC

HMDB ID

HMDB0040622

Secondary Accession Numbers

HMDB40622

Metabolite Identification

Common Name

3'-(2''-Galloylglucosyl)-phloroacetophenone

Description

3'-(2''-Galloylglucosyl)-phloroacetophenone 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. 3'-(2''-Galloylglucosyl)-phloroacetophenone has been detected, but not quantified in, herbs and spices. This could make 3'-(2''-galloylglucosyl)-phloroacetophenone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3'-(2''-Galloylglucosyl)-phloroacetophenone.

Structure

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


  Mrv0541 05061311592D          

 34 36  0  0  0  0            999 V2000
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  2  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 11  1  0  0  0  0
 28 15  1  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 21  2  0  0  0  0
 33 12  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 34 21  1  0  0  0  0
M  END

HMDB0040622
     RDKit          3D
3'-(2''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -5.1066   -3.8148   -1.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -3.1747   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -3.8667   -1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6082   -1.8696   -0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843   -1.0734   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9164   -1.7019   -0.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2246    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    0.7373    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0775    2.0243    0.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.0002   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735    0.7232   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.9692   -0.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    2.9381    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    4.2602   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    5.3556    0.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    2.6678    1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    3.4041    2.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    1.2103    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    0.8671    2.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    0.2413    0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.0308    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -0.7291   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705   -1.2831   -1.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6154   -0.9859   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523   -1.2387    0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5023   -1.4975    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674   -1.7443    2.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026   -1.5187   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944   -1.8105    0.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -1.2659   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5615   -1.2832   -2.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047   -0.9973   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384   -1.3116   -0.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -2.0754   -1.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6794   -3.9419   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7659   -3.2001   -2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337   -4.8429   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7840   -1.1992   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3314    0.8534    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    2.5375    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    0.2176   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    2.9563   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    4.2397   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    4.4194   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    5.7028    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370    3.0858    2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    4.3802    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    1.1932    2.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051    0.4605    3.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -0.7383    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -1.2068    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -1.7526    3.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950   -2.1265    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4174   -1.1436   -3.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.8007   -2.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -2.5058   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 10 33  2  0
 33 34  1  0
 33  4  1  0
 20 11  1  0
 32 24  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 25 51  1  0
 27 52  1  0
 29 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
M  END


  Mrv0541 05061311592D          

 34 36  0  0  0  0            999 V2000
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  2  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 11  1  0  0  0  0
 28 15  1  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 21  2  0  0  0  0
 33 12  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 34 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040622

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3

> <INCHI_KEY>
ABXKUABLJLHDAO-UHFFFAOYSA-N

> <FORMULA>
C21H22O13

> <MOLECULAR_WEIGHT>
482.3916

> <EXACT_MASS>
482.10604079

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.03478738756367

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
0.7474803483333334

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.216511227514884

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4726005394610135

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6095104908207754

> <JCHEM_POLAR_SURFACE_AREA>
234.66999999999996

> <JCHEM_REFRACTIVITY>
111.28649999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.45e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040622
     RDKit          3D
3'-(2''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -5.1066   -3.8148   -1.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -3.1747   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -3.8667   -1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6082   -1.8696   -0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843   -1.0734   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9164   -1.7019   -0.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2246    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    0.7373    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0775    2.0243    0.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.0002   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735    0.7232   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.9692   -0.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    2.9381    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    4.2602   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    5.3556    0.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    2.6678    1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    3.4041    2.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    1.2103    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    0.8671    2.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    0.2413    0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.0308    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -0.7291   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705   -1.2831   -1.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6154   -0.9859   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523   -1.2387    0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5023   -1.4975    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674   -1.7443    2.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026   -1.5187   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944   -1.8105    0.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -1.2659   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5615   -1.2832   -2.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047   -0.9973   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384   -1.3116   -0.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -2.0754   -1.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6794   -3.9419   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7659   -3.2001   -2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337   -4.8429   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7840   -1.1992   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3314    0.8534    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    2.5375    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    0.2176   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    2.9563   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    4.2397   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    4.4194   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    5.7028    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370    3.0858    2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    4.3802    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    1.1932    2.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051    0.4605    3.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -0.7383    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -1.2068    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -1.7526    3.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950   -2.1265    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4174   -1.1436   -3.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.8007   -2.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -2.5058   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 10 33  2  0
 33 34  1  0
 33  4  1  0
 20 11  1  0
 32 24  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 25 51  1  0
 27 52  1  0
 29 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  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      14.671   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.671   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  13.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.671   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.337   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.669  13.860   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      16.004   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      13.337  10.780   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.668  11.550   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   8.470   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      10.669  10.780   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    7   10                                                       
CONECT    3    7   11                                                       
CONECT    4    8    9                                                       
CONECT    5   12   22                                                       
CONECT    6    1   13   23                                                  
CONECT    7    2    3   21                                                  
CONECT    8    4   13   24                                                  
CONECT    9    4   14   25                                                  
CONECT   10    2   15   26                                                  
CONECT   11    3   15   27                                                  
CONECT   12    5   16   33                                                  
CONECT   13    6    8   17                                                  
CONECT   14    9   17   19                                                  
CONECT   15   10   11   28                                                  
CONECT   16   12   18   29                                                  
CONECT   17   13   14   30                                                  
CONECT   18   16   20   31                                                  
CONECT   19   14   20   33                                                  
CONECT   20   18   19   34                                                  
CONECT   21    7   32   34                                                  
CONECT   22    5                                                            
CONECT   23    6                                                            
CONECT   24    8                                                            
CONECT   25    9                                                            
CONECT   26   10                                                            
CONECT   27   11                                                            
CONECT   28   15                                                            
CONECT   29   16                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   21                                                            
CONECT   33   12   19                                                       
CONECT   34   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0040622
HETATM    1  C1  UNL     1      -5.107  -3.815  -1.548  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.783  -3.175  -1.328  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.774  -3.867  -1.680  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.608  -1.870  -0.751  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.684  -1.073  -0.360  1.00  0.00           C  
HETATM    6  O2  UNL     1      -5.916  -1.702  -0.417  1.00  0.00           O  
HETATM    7  C5  UNL     1      -4.524   0.225   0.051  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.219   0.737   0.059  1.00  0.00           C  
HETATM    9  O3  UNL     1      -3.077   2.024   0.472  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.114   0.000  -0.314  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.773   0.723  -0.436  1.00  0.00           C  
HETATM   12  O4  UNL     1      -0.945   1.969  -0.743  1.00  0.00           O  
HETATM   13  C9  UNL     1      -0.266   2.938   0.012  1.00  0.00           C  
HETATM   14  C10 UNL     1      -0.892   4.260  -0.353  1.00  0.00           C  
HETATM   15  O5  UNL     1      -0.428   5.356   0.386  1.00  0.00           O  
HETATM   16  C11 UNL     1      -0.140   2.668   1.455  1.00  0.00           C  
HETATM   17  O6  UNL     1       0.942   3.404   2.001  1.00  0.00           O  
HETATM   18  C12 UNL     1       0.019   1.210   1.848  1.00  0.00           C  
HETATM   19  O7  UNL     1      -1.086   0.867   2.631  1.00  0.00           O  
HETATM   20  C13 UNL     1       0.138   0.241   0.694  1.00  0.00           C  
HETATM   21  O8  UNL     1       1.448   0.031   0.480  1.00  0.00           O  
HETATM   22  C14 UNL     1       2.146  -0.729  -0.401  1.00  0.00           C  
HETATM   23  O9  UNL     1       1.571  -1.283  -1.345  1.00  0.00           O  
HETATM   24  C15 UNL     1       3.615  -0.986  -0.341  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.152  -1.239   0.903  1.00  0.00           C  
HETATM   26  C17 UNL     1       5.502  -1.497   0.997  1.00  0.00           C  
HETATM   27  O10 UNL     1       6.067  -1.744   2.248  1.00  0.00           O  
HETATM   28  C18 UNL     1       6.303  -1.519  -0.109  1.00  0.00           C  
HETATM   29  O11 UNL     1       7.694  -1.811   0.052  1.00  0.00           O  
HETATM   30  C19 UNL     1       5.769  -1.266  -1.367  1.00  0.00           C  
HETATM   31  O12 UNL     1       6.562  -1.283  -2.462  1.00  0.00           O  
HETATM   32  C20 UNL     1       4.405  -0.997  -1.437  1.00  0.00           C  
HETATM   33  C21 UNL     1      -2.338  -1.312  -0.710  1.00  0.00           C  
HETATM   34  O13 UNL     1      -1.315  -2.075  -1.062  1.00  0.00           O  
HETATM   35  H1  UNL     1      -5.679  -3.942  -0.627  1.00  0.00           H  
HETATM   36  H2  UNL     1      -5.766  -3.200  -2.232  1.00  0.00           H  
HETATM   37  H3  UNL     1      -4.934  -4.843  -1.985  1.00  0.00           H  
HETATM   38  H4  UNL     1      -6.784  -1.199  -0.120  1.00  0.00           H  
HETATM   39  H5  UNL     1      -5.331   0.853   0.340  1.00  0.00           H  
HETATM   40  H6  UNL     1      -3.878   2.538   0.848  1.00  0.00           H  
HETATM   41  H7  UNL     1      -0.352   0.218  -1.391  1.00  0.00           H  
HETATM   42  H8  UNL     1       0.781   2.956  -0.470  1.00  0.00           H  
HETATM   43  H9  UNL     1      -1.960   4.240  -0.461  1.00  0.00           H  
HETATM   44  H10 UNL     1      -0.510   4.419  -1.431  1.00  0.00           H  
HETATM   45  H11 UNL     1      -1.275   5.703   0.851  1.00  0.00           H  
HETATM   46  H12 UNL     1      -1.037   3.086   2.018  1.00  0.00           H  
HETATM   47  H13 UNL     1       0.718   4.380   2.022  1.00  0.00           H  
HETATM   48  H14 UNL     1       0.940   1.193   2.487  1.00  0.00           H  
HETATM   49  H15 UNL     1      -0.805   0.461   3.530  1.00  0.00           H  
HETATM   50  H16 UNL     1      -0.325  -0.738   0.838  1.00  0.00           H  
HETATM   51  H17 UNL     1       3.532  -1.207   1.795  1.00  0.00           H  
HETATM   52  H18 UNL     1       5.493  -1.753   3.050  1.00  0.00           H  
HETATM   53  H19 UNL     1       7.995  -2.127   0.973  1.00  0.00           H  
HETATM   54  H20 UNL     1       6.417  -1.144  -3.415  1.00  0.00           H  
HETATM   55  H21 UNL     1       3.998  -0.801  -2.466  1.00  0.00           H  
HETATM   56  H22 UNL     1      -0.582  -2.506  -1.279  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3    3    4
CONECT    4    5    5   33
CONECT    5    6    7
CONECT    6   38
CONECT    7    8    8   39
CONECT    8    9   10
CONECT    9   40
CONECT   10   11   33   33
CONECT   11   12   20   41
CONECT   12   13
CONECT   13   14   16   42
CONECT   14   15   43   44
CONECT   15   45
CONECT   16   17   18   46
CONECT   17   47
CONECT   18   19   20   48
CONECT   19   49
CONECT   20   21   50
CONECT   21   22
CONECT   22   23   23   24
CONECT   24   25   25   32
CONECT   25   26   51
CONECT   26   27   28   28
CONECT   27   52
CONECT   28   29   30
CONECT   29   53
CONECT   30   31   32   32
CONECT   31   54
CONECT   32   55
CONECT   33   34
CONECT   34   56
END

HMDB0040622
     RDKit          3D
3'-(2''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -5.1066   -3.8148   -1.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -3.1747   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -3.8667   -1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6082   -1.8696   -0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843   -1.0734   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9164   -1.7019   -0.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2246    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    0.7373    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0775    2.0243    0.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.0002   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735    0.7232   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.9692   -0.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    2.9381    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    4.2602   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    5.3556    0.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    2.6678    1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    3.4041    2.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    1.2103    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856    0.8671    2.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376    0.2413    0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.0308    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -0.7291   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705   -1.2831   -1.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6154   -0.9859   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523   -1.2387    0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5023   -1.4975    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674   -1.7443    2.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026   -1.5187   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944   -1.8105    0.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -1.2659   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5615   -1.2832   -2.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047   -0.9973   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384   -1.3116   -0.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -2.0754   -1.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6794   -3.9419   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7659   -3.2001   -2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337   -4.8429   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7840   -1.1992   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3314    0.8534    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    2.5375    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    0.2176   -1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    2.9563   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    4.2397   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    4.4194   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    5.7028    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370    3.0858    2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    4.3802    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    1.1932    2.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051    0.4605    3.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -0.7383    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -1.2068    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -1.7526    3.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950   -2.1265    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4174   -1.1436   -3.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.8007   -2.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -2.5058   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
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  7  8  2  0
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 10 33  2  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid	Generator

Chemical Formula

C₂₁H₂₂O₁₃

Average Molecular Weight

482.3916

Monoisotopic Molecular Weight

482.10604079

IUPAC Name

2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

152041-18-4

SMILES

CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O

InChI Identifier

InChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3

InChI Key

ABXKUABLJLHDAO-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
Galloyl ester
Alkyl-phenylketone
Hexose monosaccharide
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
Acylphloroglucinol derivative
C-glycosyl compound
Benzoate ester
Phloroglucinol derivative
Benzoic acid or derivatives
Pyrogallol derivative
Acetophenone
Phenylketone
Benzenetriol
Aryl ketone
Aryl alkyl ketone
Benzoyl
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
Ether
Dialkyl ether
Carboxylic acid derivative
Alcohol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040622)
Cytoplasm (HMDB: HMDB0040622)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040622)

Source

Exogenous

Food

Food (HMDB: HMDB0040622)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0040622)

Not Available

Nutrient (HMDB: HMDB0040622)

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	3.45 g/L	ALOGPS
logP	0.51	ALOGPS
logP	0.75	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	7.47	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	6	ChemAxon
Refractivity	111.29 m³·mol⁻¹	ChemAxon
Polarizability	45.03 Å³	ChemAxon
Number of Rings	3	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]+	209.33	31661259
DarkChem	[M-H]-	202.607	31661259
DeepCCS	[M+H]+	204.16	30932474
DeepCCS	[M-H]-	201.802	30932474
DeepCCS	[M-2H]-	234.687	30932474
DeepCCS	[M+Na]+	210.253	30932474
AllCCS	[M+H]+	208.5	32859911
AllCCS	[M+H-H2O]+	206.4	32859911
AllCCS	[M+NH4]+	210.5	32859911
AllCCS	[M+Na]+	211.1	32859911
AllCCS	[M-H]-	205.6	32859911
AllCCS	[M+Na-2H]-	206.5	32859911
AllCCS	[M+HCOO]-	207.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-(2''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O	5061.4	Standard polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O	4054.8	Standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O	4337.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #1	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4308.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #2	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4320.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4340.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4371.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4351.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4316.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4353.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4369.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4267.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #10	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4239.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #11	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4251.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4216.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4152.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4282.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #15	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4234.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4298.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4226.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4144.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #19	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4314.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #2	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4235.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #20	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4262.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4252.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4172.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4295.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #24	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4227.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #25	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4239.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #26	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4161.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4222.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4178.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #29	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4282.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4209.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4214.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4239.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4223.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #7	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	4170.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4264.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4225.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4162.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #10	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4069.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #11	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	4017.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4110.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4112.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4070.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #15	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	4013.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4147.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4067.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3999.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4076.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4142.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #20	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	4013.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4075.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4020.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4129.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4169.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4176.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #26	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4118.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4060.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4116.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4115.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4156.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4053.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3997.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #32	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4178.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #33	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4091.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4036.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4092.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4035.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4060.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4018.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #39	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4147.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4172.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #40	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4227.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #41	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4122.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #42	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4055.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #43	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4167.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #44	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4042.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #45	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4003.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #46	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4145.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #47	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4078.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #48	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4058.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #49	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4020.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4138.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #50	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4159.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4140.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4071.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #53	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4059.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #54	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4029.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #55	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4080.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #56	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4036.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #57	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4102.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #58	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4128.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #59	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4072.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	4079.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #60	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4060.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #61	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4013.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #62	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4060.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #63	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4043.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4094.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #8	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4107.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4120.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4049.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #10	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4101.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #11	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4005.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #12	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3937.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #13	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4011.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3940.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3997.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #16	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3972.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #17	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4022.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #18	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4012.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #19	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3935.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4068.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #20	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3879.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #21	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4053.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #22	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3928.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #23	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3898.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #24	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3936.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #25	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3918.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #26	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3929.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #27	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3911.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #28	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4060.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #29	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3964.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4074.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #30	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3910.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #31	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3950.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #32	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3895.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #33	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3930.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3906.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3993.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3930.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3918.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3905.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #39	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3923.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3996.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3904.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3961.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #42	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4069.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #43	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4061.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #44	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3979.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #45	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3917.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #46	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4133.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #47	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4027.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #48	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3964.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #49	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4021.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3951.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #50	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3957.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3995.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3969.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #53	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4074.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #54	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3961.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #55	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3936.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #56	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3948.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #57	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3935.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #58	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3932.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #59	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3906.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4063.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #60	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4037.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #61	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3995.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #62	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3978.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #63	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3954.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #64	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3971.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #65	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3943.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #66	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3974.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #67	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4105.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #68	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3968.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #69	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3935.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #7	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4057.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #70	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4064.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #71	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	4000.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #72	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3993.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #73	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3971.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #74	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3990.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #75	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3960.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #76	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3946.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #77	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3933.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #78	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4007.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #79	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3986.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	4007.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #80	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3984.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #81	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3976.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #82	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3952.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #83	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4001.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #84	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3976.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #85	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3958.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #86	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3941.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #87	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3986.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #88	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3967.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #89	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3944.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #9	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3943.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #90	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	4022.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #91	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3968.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	3989.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #10	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3889.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #11	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3873.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #12	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4060.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #13	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3930.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3870.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3911.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #16	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3853.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #17	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3876.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #18	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3858.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #19	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3954.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	3970.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #20	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3897.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #21	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3881.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #22	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3865.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3879.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3855.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3914.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #26	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	3996.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #27	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3865.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3854.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3849.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3872.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3847.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3824.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #32	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3809.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #33	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3888.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #34	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3872.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #35	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3850.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #36	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3836.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #37	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3852.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #38	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3835.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #39	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3868.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3838.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3942.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3889.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #42	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3870.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #43	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3857.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #44	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3856.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #45	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3839.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #46	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3853.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #47	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3895.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #48	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3878.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #49	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3867.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	4005.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #50	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3849.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4030.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3904.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #53	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3889.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #54	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3890.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #55	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3882.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #56	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3864.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #57	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3850.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #58	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	4003.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #59	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3946.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3873.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #60	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3935.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #61	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3920.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #62	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3926.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #63	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3907.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #64	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3928.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #65	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3932.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #66	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3906.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #67	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3904.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #68	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3889.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #69	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3894.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #7	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3871.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #70	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3877.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #71	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO[Si](C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3877.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #72	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3963.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #73	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3946.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #74	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3941.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #75	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3930.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #76	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3940.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #77	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	3911.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #78	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3900.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #79	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3885.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C	3871.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #80	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3964.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #81	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3946.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #82	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3947.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #83	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3932.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #84	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3915.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #85	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3916.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #86	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3963.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #87	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	3895.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #88	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3878.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #89	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3931.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #9	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	3875.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #90	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3900.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #91	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	3912.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #1	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4579.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #2	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4562.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4608.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4645.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4603.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4604.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4589.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4608.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4752.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #10	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4674.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #11	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4700.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4658.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4626.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4708.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #15	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4651.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4729.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4652.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4624.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #19	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4739.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #2	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4714.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #20	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4678.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4683.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4661.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4707.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #24	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4661.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #25	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4670.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #26	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4630.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4691.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4669.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #29	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4698.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4692.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4682.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4707.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4685.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4669.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4710.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4656.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4839.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #10	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4778.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #11	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4795.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4766.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4780.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4734.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #15	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4714.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4776.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4705.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4709.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4736.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4813.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #20	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4737.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4763.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4729.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4791.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4815.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4832.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #26	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4784.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4755.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4769.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4781.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4800.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4735.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4748.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #32	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4815.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #33	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4743.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4726.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4758.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4746.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4733.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4710.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #39	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4780.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4827.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #40	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4832.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #41	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4760.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #42	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4753.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #43	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4780.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #44	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4724.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #45	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4764.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #46	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4755.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #47	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4750.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #48	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4725.1	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #49	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4705.2	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O[Si](C)(C)C(C)(C)C	4816.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #50	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	4800.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4792.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4783.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #53	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4753.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #54	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4796.5	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #55	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4756.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #56	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4731.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #57	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4792.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #58	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4807.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #59	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4776.7	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4801.6	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #60	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4784.0	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #61	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4761.8	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #62	CC(=O)C1=C(O)C=C(O)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O	4749.3	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #63	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	4804.4	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4774.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #8	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4762.9	Semi standard non polar	33892256
3'-(2''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	4789.1	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 - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fir-5922400000-1db9d4a2c6d95b621e1d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (3 TMS) - 70eV, Positive	splash10-05cr-6301519000-9decd2a5ede83c471f9b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_2_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_3_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_3_29) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_3_50) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_3_53) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (TBDMS_3_54) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone GC-MS ("3'-(2''-Galloylglucosyl)-phloroacetophenone,2TBDMS,#20" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - 3'-(2''-Galloylglucosyl)-phloroacetophenone 10V, Positive-QTOF	splash10-00lr-0302900000-8b6b3c46d155f38e425a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 20V, Positive-QTOF	splash10-0uxr-1912500000-46408af40b2e0b4a684d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 40V, Positive-QTOF	splash10-0ufs-1900000000-c9aee25ecaa40bba8c8d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 10V, Negative-QTOF	splash10-001i-0302900000-9e207f55fe39a9d5a026	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 20V, Negative-QTOF	splash10-014i-3913400000-65f823354a1a13011286	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 40V, Negative-QTOF	splash10-014i-1900000000-6763a72986e8c186723b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 10V, Negative-QTOF	splash10-001i-0303900000-04054967be76cc822917	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 20V, Negative-QTOF	splash10-03di-0109200000-29475990d3f138308376	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 40V, Negative-QTOF	splash10-02vl-4905200000-bfa1483a9360ccb78621	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 10V, Positive-QTOF	splash10-00lr-0002900000-bb71c42e4b578d4c5088	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 20V, Positive-QTOF	splash10-0159-0911600000-7fb74d94ec1eba6161c4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(2''-Galloylglucosyl)-phloroacetophenone 40V, Positive-QTOF	splash10-0w30-2911100000-a62bc8d49d673cd14a72	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

FDB020413

KNApSAcK ID

Not Available

Chemspider ID

35014976

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752869

PDB ID

Not Available

ChEBI ID

168634

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 3'-(2''-Galloylglucosyl)-phloroacetophenone (HMDB0040622)

MOL for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

3D MOL for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

3D SDF for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

3D-SDF for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

PDB for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

3D PDB for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

SMILES for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

INCHI for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

Structure for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

3D Structure for HMDB0040622 (3'-(2''-Galloylglucosyl)-phloroacetophenone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra