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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:11:08 UTC

Update Date

2022-03-07 02:56:40 UTC

HMDB ID

HMDB0040623

Secondary Accession Numbers

HMDB40623

Metabolite Identification

Common Name

3'-(6''-Galloylglucosyl)-phloroacetophenone

Description

3'-(6''-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'-(6''-Galloylglucosyl)-phloroacetophenone has been detected, but not quantified in, herbs and spices. This could make 3'-(6''-galloylglucosyl)-phloroacetophenone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3'-(6''-Galloylglucosyl)-phloroacetophenone.

Structure

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


  Mrv0541 05061311592D          

 34 36  0  0  0  0            999 V2000
   -8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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
   -8.5737    3.3000    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
   -7.8592    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
   -8.5737    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
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    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
   -3.5724   -0.4125    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
   -7.1447    2.4750    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
   -6.4302    4.5375    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
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    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
   -5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    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
  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 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22  6  2  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 21  2  0  0  0  0
 33  5  1  0  0  0  0
 33 21  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
M  END

HMDB0040623
     RDKit          3D
3'-(6''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -4.2781    2.8815   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2742    1.9492   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775    2.3726   -0.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9680    0.6173   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9593   -0.1435    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3016    0.3102    0.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6854   -1.3668    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3735   -1.8551    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2011   -3.0894    1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3262   -1.1056    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -1.6292    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -0.6173    1.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -0.9115    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.0715    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.1936    0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    1.1256   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    1.7415   -1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559    1.4561   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    0.8826    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348    1.3063    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4611    0.7768    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807    2.2865   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.7180   -0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    2.8561   -1.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    3.8456   -1.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    2.4393   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -2.3485    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -2.5781    0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.7022   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -4.0163   -0.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -1.8440   -0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -2.6670   -1.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519    0.1296   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.9262   -0.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    2.4950   -2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832    3.1729   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7681    3.8568   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0174   -0.2682    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5049   -1.9619    1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460   -3.5765    1.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223   -2.4861    1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.8339    2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545    1.0948    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390   -0.2320   -0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    0.1281    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334    1.0966    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    3.4321   -0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    4.2519   -2.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    2.9095   -1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431   -3.0522    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -3.4458    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -2.6029   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721   -4.4700    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411   -0.9945   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -3.4473   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.9223   -0.7456 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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 10 33  2  0
 33 34  1  0
 33  4  1  0
 31 11  1  0
 26 18  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
 19 45  1  0
 21 46  1  0
 23 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 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
   -8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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
   -8.5737    3.3000    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
   -7.8592    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
   -8.5737    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
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    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
   -3.5724   -0.4125    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
   -7.1447    2.4750    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
   -6.4302    4.5375    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
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    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
   -5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    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
  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 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22  6  2  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 21  2  0  0  0  0
 33  5  1  0  0  0  0
 33 21  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040623

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O

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

> <INCHI_KEY>
OSPSKZAEYSNSGH-UHFFFAOYSA-N

> <FORMULA>
C21H22O13

> <MOLECULAR_WEIGHT>
482.3916

> <EXACT_MASS>
482.10604079

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.01628774926313

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
0.50

> <JCHEM_LOGP>
0.7474803483333334

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.220319897474626

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.47396906881777

> <JCHEM_PKA_STRONGEST_BASIC>
-3.609509600609047

> <JCHEM_POLAR_SURFACE_AREA>
234.66999999999996

> <JCHEM_REFRACTIVITY>
111.28649999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040623
     RDKit          3D
3'-(6''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -4.2781    2.8815   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2742    1.9492   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775    2.3726   -0.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9680    0.6173   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9593   -0.1435    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3016    0.3102    0.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6854   -1.3668    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3735   -1.8551    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2011   -3.0894    1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3262   -1.1056    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -1.6292    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -0.6173    1.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -0.9115    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.0715    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.1936    0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    1.1256   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    1.7415   -1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559    1.4561   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    0.8826    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348    1.3063    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4611    0.7768    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807    2.2865   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.7180   -0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    2.8561   -1.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    3.8456   -1.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    2.4393   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -2.3485    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -2.5781    0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.7022   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -4.0163   -0.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -1.8440   -0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -2.6670   -1.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519    0.1296   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.9262   -0.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    2.4950   -2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832    3.1729   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7681    3.8568   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0174   -0.2682    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5049   -1.9619    1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460   -3.5765    1.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223   -2.4861    1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.8339    2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545    1.0948    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390   -0.2320   -0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    0.1281    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334    1.0966    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    3.4321   -0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    4.2519   -2.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    2.9095   -1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431   -3.0522    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -3.4458    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -2.6029   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721   -4.4700    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411   -0.9945   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -3.4473   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.9223   -0.7456 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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 10 33  2  0
 33 34  1  0
 33  4  1  0
 31 11  1  0
 26 18  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
 19 45  1  0
 21 46  1  0
 23 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 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     -16.004   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.004   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.671   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -16.004   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -14.671   6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -14.671   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -13.337   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -12.003   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -13.337   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0     -17.338   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -14.671   8.470   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -12.003   3.850   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -10.669  10.780   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -13.337   9.240   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -10.669   6.160   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   33                                                       
CONECT    6    1   13   22                                                  
CONECT    7    2    3   21                                                  
CONECT    8    4   13   23                                                  
CONECT    9    4   14   24                                                  
CONECT   10    2   15   25                                                  
CONECT   11    3   15   26                                                  
CONECT   12    5   16   34                                                  
CONECT   13    6    8   17                                                  
CONECT   14    9   17   20                                                  
CONECT   15   10   11   27                                                  
CONECT   16   12   18   28                                                  
CONECT   17   13   14   29                                                  
CONECT   18   16   19   30                                                  
CONECT   19   18   20   31                                                  
CONECT   20   14   19   34                                                  
CONECT   21    7   32   33                                                  
CONECT   22    6                                                            
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   11                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   21                                                            
CONECT   33    5   21                                                       
CONECT   34   12   20                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0040623
HETATM    1  C1  UNL     1      -4.278   2.881  -1.145  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.274   1.949  -0.570  1.00  0.00           C  
HETATM    3  O1  UNL     1      -6.477   2.373  -0.508  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.968   0.617  -0.073  1.00  0.00           C  
HETATM    5  C4  UNL     1      -5.959  -0.144   0.463  1.00  0.00           C  
HETATM    6  O2  UNL     1      -7.302   0.310   0.491  1.00  0.00           O  
HETATM    7  C5  UNL     1      -5.685  -1.367   0.988  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.373  -1.855   0.977  1.00  0.00           C  
HETATM    9  O3  UNL     1      -4.201  -3.089   1.524  1.00  0.00           O  
HETATM   10  C7  UNL     1      -3.326  -1.106   0.428  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.945  -1.629   0.576  1.00  0.00           C  
HETATM   12  O4  UNL     1      -1.174  -0.617   1.203  1.00  0.00           O  
HETATM   13  C9  UNL     1       0.180  -0.911   1.221  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.857   0.072   0.353  1.00  0.00           C  
HETATM   15  O5  UNL     1       2.294   0.194   0.535  1.00  0.00           O  
HETATM   16  C11 UNL     1       2.954   1.126  -0.270  1.00  0.00           C  
HETATM   17  O6  UNL     1       2.208   1.741  -1.112  1.00  0.00           O  
HETATM   18  C12 UNL     1       4.356   1.456  -0.232  1.00  0.00           C  
HETATM   19  C13 UNL     1       5.233   0.883   0.676  1.00  0.00           C  
HETATM   20  C14 UNL     1       6.535   1.306   0.681  1.00  0.00           C  
HETATM   21  O7  UNL     1       7.461   0.777   1.561  1.00  0.00           O  
HETATM   22  C15 UNL     1       6.981   2.286  -0.202  1.00  0.00           C  
HETATM   23  O8  UNL     1       8.296   2.718  -0.199  1.00  0.00           O  
HETATM   24  C16 UNL     1       6.111   2.856  -1.108  1.00  0.00           C  
HETATM   25  O9  UNL     1       6.570   3.846  -1.997  1.00  0.00           O  
HETATM   26  C17 UNL     1       4.799   2.439  -1.120  1.00  0.00           C  
HETATM   27  C18 UNL     1       0.435  -2.348   0.821  1.00  0.00           C  
HETATM   28  O10 UNL     1       1.801  -2.578   0.795  1.00  0.00           O  
HETATM   29  C19 UNL     1      -0.128  -2.702  -0.530  1.00  0.00           C  
HETATM   30  O11 UNL     1      -0.620  -4.016  -0.446  1.00  0.00           O  
HETATM   31  C20 UNL     1      -1.363  -1.844  -0.809  1.00  0.00           C  
HETATM   32  O12 UNL     1      -2.343  -2.667  -1.461  1.00  0.00           O  
HETATM   33  C21 UNL     1      -3.652   0.130  -0.087  1.00  0.00           C  
HETATM   34  O13 UNL     1      -2.696   0.926  -0.624  1.00  0.00           O  
HETATM   35  H1  UNL     1      -3.855   2.495  -2.086  1.00  0.00           H  
HETATM   36  H2  UNL     1      -3.483   3.173  -0.414  1.00  0.00           H  
HETATM   37  H3  UNL     1      -4.768   3.857  -1.389  1.00  0.00           H  
HETATM   38  H4  UNL     1      -8.017  -0.268   0.901  1.00  0.00           H  
HETATM   39  H5  UNL     1      -6.505  -1.962   1.418  1.00  0.00           H  
HETATM   40  H6  UNL     1      -3.346  -3.576   1.588  1.00  0.00           H  
HETATM   41  H7  UNL     1      -1.922  -2.486   1.219  1.00  0.00           H  
HETATM   42  H8  UNL     1       0.498  -0.834   2.292  1.00  0.00           H  
HETATM   43  H9  UNL     1       0.455   1.095   0.454  1.00  0.00           H  
HETATM   44  H10 UNL     1       0.739  -0.232  -0.728  1.00  0.00           H  
HETATM   45  H11 UNL     1       4.840   0.128   1.336  1.00  0.00           H  
HETATM   46  H12 UNL     1       8.433   1.097   1.583  1.00  0.00           H  
HETATM   47  H13 UNL     1       8.633   3.432  -0.829  1.00  0.00           H  
HETATM   48  H14 UNL     1       5.928   4.252  -2.659  1.00  0.00           H  
HETATM   49  H15 UNL     1       4.124   2.909  -1.855  1.00  0.00           H  
HETATM   50  H16 UNL     1       0.043  -3.052   1.617  1.00  0.00           H  
HETATM   51  H17 UNL     1       1.992  -3.446   0.295  1.00  0.00           H  
HETATM   52  H18 UNL     1       0.639  -2.603  -1.286  1.00  0.00           H  
HETATM   53  H19 UNL     1      -0.372  -4.470   0.382  1.00  0.00           H  
HETATM   54  H20 UNL     1      -1.141  -0.994  -1.351  1.00  0.00           H  
HETATM   55  H21 UNL     1      -2.479  -3.447  -0.858  1.00  0.00           H  
HETATM   56  H22 UNL     1      -1.740   0.922  -0.746  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   31   41
CONECT   12   13
CONECT   13   14   27   42
CONECT   14   15   43   44
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19   19   26
CONECT   19   20   45
CONECT   20   21   22   22
CONECT   21   46
CONECT   22   23   24
CONECT   23   47
CONECT   24   25   26   26
CONECT   25   48
CONECT   26   49
CONECT   27   28   29   50
CONECT   28   51
CONECT   29   30   31   52
CONECT   30   53
CONECT   31   32   54
CONECT   32   55
CONECT   33   34
CONECT   34   56
END

HMDB0040623
     RDKit          3D
3'-(6''-Galloylglucosyl)-phloroacetophenone
 56 58  0  0  0  0  0  0  0  0999 V2000
   -4.2781    2.8815   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2742    1.9492   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775    2.3726   -0.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9680    0.6173   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9593   -0.1435    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3016    0.3102    0.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6854   -1.3668    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3735   -1.8551    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2011   -3.0894    1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3262   -1.1056    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -1.6292    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -0.6173    1.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -0.9115    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.0715    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.1936    0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    1.1256   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    1.7415   -1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559    1.4561   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331    0.8826    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348    1.3063    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4611    0.7768    1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807    2.2865   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    2.7180   -0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    2.8561   -1.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695    3.8456   -1.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    2.4393   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -2.3485    0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -2.5781    0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.7022   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -4.0163   -0.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -1.8440   -0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -2.6670   -1.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519    0.1296   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.9262   -0.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    2.4950   -2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832    3.1729   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7681    3.8568   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0174   -0.2682    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5049   -1.9619    1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460   -3.5765    1.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223   -2.4861    1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.8339    2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545    1.0948    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390   -0.2320   -0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    0.1281    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334    1.0966    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    3.4321   -0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    4.2519   -2.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    2.9095   -1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431   -3.0522    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -3.4458    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -2.6029   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721   -4.4700    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411   -0.9945   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -3.4473   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.9223   -0.7456 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
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  8  9  1  0
  8 10  1  0
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 18 19  2  0
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 13 27  1  0
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 27 29  1  0
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 10 33  2  0
 33 34  1  0
 33  4  1  0
 31 11  1  0
 26 18  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
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 34 56  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
[6-(3-Acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid	HMDB

Chemical Formula

C₂₁H₂₂O₁₃

Average Molecular Weight

482.3916

Monoisotopic Molecular Weight

482.10604079

IUPAC Name

[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Traditional Name

[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

CAS Registry Number

152041-19-5

SMILES

CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O

InChI Identifier

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

InChI Key

OSPSKZAEYSNSGH-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
Alkyl-phenylketone
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
Acylphloroglucinol derivative
C-glycosyl compound
Benzoate ester
Acetophenone
Benzenetriol
Benzoic acid or derivatives
Phenylketone
Phloroglucinol derivative
Pyrogallol derivative
Aryl alkyl ketone
Aryl ketone
Benzoyl
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Dicarboxylic acid or derivatives
Vinylogous acid
Secondary alcohol
1,2-diol
Ketone
Carboxylic acid ester
Ether
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Oxacycle
Dialkyl ether
Alcohol
Hydrocarbon derivative
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040623)
Cytoplasm (HMDB: HMDB0040623)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040623)

Source

Exogenous

Food

Food (HMDB: HMDB0040623)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0040623)

Not Available

Nutrient (HMDB: HMDB0040623)

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	2.82 g/L	ALOGPS
logP	0.5	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	45.02 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]+	210.099	31661259
DarkChem	[M-H]-	202.054	31661259
DeepCCS	[M+H]+	202.999	30932474
DeepCCS	[M-H]-	200.641	30932474
DeepCCS	[M-2H]-	233.525	30932474
DeepCCS	[M+Na]+	209.289	30932474
AllCCS	[M+H]+	208.7	32859911
AllCCS	[M+H-H2O]+	206.6	32859911
AllCCS	[M+NH4]+	210.6	32859911
AllCCS	[M+Na]+	211.2	32859911
AllCCS	[M-H]-	205.2	32859911
AllCCS	[M+Na-2H]-	206.2	32859911
AllCCS	[M+HCOO]-	207.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-(6''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O	5495.3	Standard polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O	3894.0	Standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone	CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C(O)C=C1O	4439.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #1	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4342.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #2	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4383.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4373.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4378.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4411.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4375.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4380.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4387.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4306.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #10	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4313.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #11	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4235.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4278.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4284.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4276.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4310.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #16	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4247.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4232.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4226.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4219.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #2	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4277.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #20	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4331.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #21	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4294.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4331.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #23	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4315.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4347.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #25	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4303.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #26	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4324.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4335.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4290.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #29	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4333.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4263.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4242.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4272.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4278.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #7	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4258.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4341.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4296.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4209.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #10	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4160.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #11	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4158.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4148.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4094.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4133.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #15	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4113.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4121.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4087.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4060.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4075.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4193.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #20	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4191.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4188.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4186.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4170.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4205.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4147.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #26	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4190.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4174.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #28	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4178.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4130.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4161.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4073.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4127.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #32	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4097.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #33	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4115.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4123.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4139.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4110.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4124.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4090.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #39	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4064.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4212.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4077.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4167.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #42	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4158.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #43	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4160.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #44	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4112.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #45	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4141.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #46	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4111.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #47	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4128.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #48	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4070.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #49	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4103.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4217.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #50	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4061.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #51	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4109.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #52	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4103.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #53	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4099.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #54	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4202.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #55	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4248.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #56	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4243.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #57	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4190.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #58	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4181.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #59	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4242.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4204.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #60	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4196.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #61	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4248.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #62	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4186.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #63	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4193.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4137.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #8	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4080.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4162.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4069.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #10	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4080.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #11	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4028.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #12	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3997.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #13	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4016.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4151.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4156.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #16	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4155.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #17	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3992.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #18	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3955.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #19	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4005.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4007.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #20	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3976.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #21	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4004.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #22	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3942.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #23	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4001.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #24	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3939.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #25	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4095.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #26	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4107.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #27	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4106.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #28	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4018.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #29	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4009.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4124.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #30	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3978.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #31	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3998.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #32	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3980.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #33	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3949.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3970.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4046.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4049.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4038.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3988.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #39	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3987.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4118.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3977.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4153.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #42	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4030.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #43	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	3991.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #44	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4037.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #45	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4011.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #46	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4036.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #47	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4071.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #48	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4059.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #49	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4034.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4123.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #50	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4056.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4028.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4001.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #53	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4025.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #54	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4099.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #55	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4101.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #56	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4096.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #57	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	4011.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #58	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3989.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #59	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4018.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4082.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #60	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3984.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #61	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3964.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #62	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4001.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #63	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3958.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #64	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4024.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #65	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4023.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #66	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4016.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #67	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4039.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #68	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4016.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #69	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4028.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #7	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	4045.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #70	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4045.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #71	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4046.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #72	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4038.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #73	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4022.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #74	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4018.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #75	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4012.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #76	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4111.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #77	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3977.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #78	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	4033.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #79	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3976.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	4085.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #80	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4041.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #81	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4038.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #82	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4032.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #83	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4010.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #84	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3993.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #85	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3997.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #86	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4063.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #87	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4138.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #88	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4139.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #89	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4215.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #9	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4059.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #90	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4147.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,isomer #91	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4143.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3929.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #10	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4086.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #11	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4068.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #12	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3974.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #13	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3954.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #14	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3940.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3951.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #16	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3935.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #17	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3919.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #18	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3932.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #19	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4013.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3911.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #20	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4015.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #21	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3999.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #22	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3952.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #23	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3953.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3933.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4147.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #26	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C	3912.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #27	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3893.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3935.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3893.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3950.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3877.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3925.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #32	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3877.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #33	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3939.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #34	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3946.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #35	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3931.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #36	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3928.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #37	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3932.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #38	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3919.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #39	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4086.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3935.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3939.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3915.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #42	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3933.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #43	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3950.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #44	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3944.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #45	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3936.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #46	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3932.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #47	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3934.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #48	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3917.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #49	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	4026.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3957.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #50	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3970.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #51	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)=C1O	3953.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #52	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3936.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #53	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	3971.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #54	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3930.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #55	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3920.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #56	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	3963.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #57	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3915.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #58	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	3984.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #59	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3977.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	3912.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #60	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3974.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #61	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	4007.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #62	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	3987.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #63	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	4002.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #64	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4015.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #65	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4003.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #66	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3998.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #67	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	3996.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #68	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3988.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #69	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3979.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #7	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	3972.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #70	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4083.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #71	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)=C1O	3954.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #72	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)=C1O	3973.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #73	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O	3946.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #74	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	3972.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #75	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3963.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #76	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3960.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #77	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	3960.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #78	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3954.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #79	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3947.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	3912.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #80	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4009.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #81	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	4017.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #82	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	4013.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #83	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4003.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #84	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4038.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #85	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4018.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #86	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	3965.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #87	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	3959.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #88	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3952.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #89	CC(=O)C1=C(O[Si](C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4015.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #9	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	4069.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #90	CC(=O)C1=C(O)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	3972.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,5TMS,isomer #91	CC(=O)C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	4119.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #1	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4606.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #2	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4649.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4673.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4643.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4693.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4667.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4638.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,1TBDMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4634.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #1	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4821.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #10	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4759.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #11	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4712.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4716.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4744.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4737.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #15	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4780.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #16	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4736.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4699.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4729.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4715.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #2	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4784.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #20	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4769.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #21	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4725.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4788.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #23	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4783.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4798.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #25	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4750.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #26	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4799.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4790.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #28	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4739.8	Semi standard non polar	33892256
3'-(6''-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(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O	4778.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #3	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4765.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #4	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4759.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #5	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4751.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #6	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4770.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4759.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #8	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4783.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,2TBDMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4741.8	Semi standard non polar	33892256
3'-(6''-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(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4895.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #10	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4853.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #11	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4842.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #12	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4843.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #13	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4801.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #14	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4782.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #15	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4799.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #16	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4798.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #17	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4772.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #18	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4812.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #19	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4784.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #2	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4878.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #20	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4828.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #21	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4838.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #22	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4844.0	Semi standard non polar	33892256
3'-(6''-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(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4868.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #24	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4893.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #25	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4851.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #26	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4829.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #27	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4853.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #28	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4852.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #29	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4857.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #3	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4884.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #30	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O	4825.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #31	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4786.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #32	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4821.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #33	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4806.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #34	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=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)=C3)C(O)C(O)C2O)=C1O	4814.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #35	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4791.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #36	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4824.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #37	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4810.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #38	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4761.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #39	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4795.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #4	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4867.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #40	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4776.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #41	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4809.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #42	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4818.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #43	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4820.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #44	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O	4878.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #45	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4813.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #46	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4854.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #47	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4828.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #48	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4807.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #49	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4868.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #5	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O[Si](C)(C)C(C)(C)C	4894.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #50	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4814.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #51	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4797.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #52	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4800.6	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #53	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4804.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #54	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	4844.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #55	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4881.3	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #56	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4889.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #57	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4827.4	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #58	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4836.5	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #59	CC(=O)C1=C(O)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4875.7	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #6	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4878.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #60	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	4870.8	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #61	CC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4895.9	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #62	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1O	4841.7	Semi standard non polar	33892256
3'-(6''-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(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	4860.1	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #7	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4843.2	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #8	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4858.0	Semi standard non polar	33892256
3'-(6''-Galloylglucosyl)-phloroacetophenone,3TBDMS,isomer #9	CC(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	4825.2	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'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f7k-0940200000-4458d9f70311ec720d90	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (3 TMS) - 70eV, Positive	splash10-0gx0-1312829000-f9c9ab8909f9af672495	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-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'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_4_27) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_5_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_5_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_5_38) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_5_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS (TMS_5_76) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone GC-MS ("3'-(6''-Galloylglucosyl)-phloroacetophenone,4TMS,#27" 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'-(6''-Galloylglucosyl)-phloroacetophenone 10V, Positive-QTOF	splash10-0hh9-0503900000-b178034f4e6f01431b4a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 20V, Positive-QTOF	splash10-0wos-0924300000-2d23202e819280f4aa15	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 40V, Positive-QTOF	splash10-004j-0900000000-db7bd703e2b24b0d7535	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 10V, Negative-QTOF	splash10-0159-0910600000-593c355522e2492887fe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 20V, Negative-QTOF	splash10-014i-0910100000-69b1d5b6598fe3e64164	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 40V, Negative-QTOF	splash10-016r-1910000000-b9994d70e9f93d904471	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 10V, Negative-QTOF	splash10-001i-0201900000-5de90e4b4b33197448ad	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 20V, Negative-QTOF	splash10-016r-0951200000-7eff0d95e5b9903f8b8c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 40V, Negative-QTOF	splash10-00or-1901100000-997bd0acff2cb4e0b288	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 10V, Positive-QTOF	splash10-00lr-0501900000-d668a38546ad0a5bf6fb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 20V, Positive-QTOF	splash10-0gc0-0921200000-e71a20be2ab954bfa5c9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-(6''-Galloylglucosyl)-phloroacetophenone 40V, Positive-QTOF	splash10-01u0-0920100000-d60f4d2d7a1b8f837233	2021-09-24	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

FDB020414

KNApSAcK ID

Not Available

Chemspider ID

35014977

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752870

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 3'-(6''-Galloylglucosyl)-phloroacetophenone (HMDB0040623)

MOL for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

3D MOL for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

3D SDF for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

3D-SDF for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

PDB for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

3D PDB for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

SMILES for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

INCHI for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

Structure for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

3D Structure for HMDB0040623 (3'-(6''-Galloylglucosyl)-phloroacetophenone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra