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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2017-09-16 04:12:00 UTC

Update Date

2021-09-14 15:48:11 UTC

HMDB ID

HMDB0128508

Secondary Accession Numbers

None

Metabolite Identification

Common Name

3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

Description

3,4,5-trihydroxy-6-{3-[(e)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-{3-hydroxy-5-[(e)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.

Structure

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

  Mrv1652308211903102D          

 42 45  0  0  0  0            999 V2000
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 11  1  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
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 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
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 23 20  1  0  0  0  0
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 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 10  1  0  0  0  0
 28 13  1  0  0  0  0
 29 17  1  0  0  0  0
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 31 19  1  0  0  0  0
 32 20  1  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
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 37 14  1  0  0  0  0
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 38 15  1  0  0  0  0
 38 26  1  0  0  0  0
 39 16  1  0  0  0  0
 39 25  1  0  0  0  0
 40 23  1  0  0  0  0
 40 26  1  0  0  0  0
 41  1  1  0  0  0  0
 42  2  1  0  0  0  0
M  END

HMDB0128508
     RDKit          3D
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6...
 70 73  0  0  0  0  0  0  0  0999 V2000
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   -0.9700   -0.6503   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    0.5973    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    1.4599    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317    2.7829    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2411   -3.3718   -3.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1632   -2.4867   -1.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7901   -1.9273    1.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.0511   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8972   -1.5813   -1.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3305   -1.9949   -2.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1194   -0.8259   -2.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5293   -4.1443   -1.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6967    3.0397    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    3.4213    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390    5.5521    2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9527   -3.8821   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7911   -2.1609   -0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631   -0.9194   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670   -2.0043    2.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435   -3.4409    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -1.8753    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -2.0619   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562   -0.6255   -2.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3196   -2.5381   -3.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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 37 67  1  0
 38 68  1  0
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 40 70  1  0
M  END

  Mrv1652308211903102D          

 42 45  0  0  0  0            999 V2000
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 11  1  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 10  1  0  0  0  0
 28 13  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 20  1  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 24  2  0  0  0  0
 36 24  1  0  0  0  0
 37 14  1  0  0  0  0
 37 25  1  0  0  0  0
 38 15  1  0  0  0  0
 38 26  1  0  0  0  0
 39 16  1  0  0  0  0
 39 25  1  0  0  0  0
 40 23  1  0  0  0  0
 40 26  1  0  0  0  0
 41  1  1  0  0  0  0
 42  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0128508

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)37-14-7-12(2-1-11-3-5-13(28)6-4-11)8-15(9-14)38-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+

> <INCHI_KEY>
SSZYARBRHYOZQM-OWOJBTEDSA-N

> <FORMULA>
C26H30O14

> <MOLECULAR_WEIGHT>
566.512

> <EXACT_MASS>
566.163555646

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
54.910106309381305

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-0.8134707623333333

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.995641227885331

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0522924360508012

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6789465902300806

> <JCHEM_POLAR_SURFACE_AREA>
236.05999999999995

> <JCHEM_REFRACTIVITY>
131.61169999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0128508
     RDKit          3D
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6...
 70 73  0  0  0  0  0  0  0  0999 V2000
   -5.1147   -0.2747    1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7837   -1.2510    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1497   -1.2376    1.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1469   -2.3939    0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976   -2.3403    0.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214   -1.4285   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -1.5530   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -0.6503   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    0.5973    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    1.4599    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317    2.7829    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    3.6581    1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878    5.0060    1.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    5.8682    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    7.1046    2.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460    7.5463    2.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8800    8.8252    3.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    6.6952    2.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849    5.4272    2.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0644    1.0854    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3779   -0.1937   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -0.5558   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499   -1.7371   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313   -1.4948   -1.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8029   -2.5817   -2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4634   -2.2847   -3.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   -3.3718   -3.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -2.8367   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1632   -2.4867   -1.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -1.9878    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504   -2.1816    1.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445   -2.3440    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -1.9273    1.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.0511   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8972   -1.5813   -1.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -2.5422   -2.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3305   -1.9949   -2.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1194   -0.8259   -2.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7808   -2.7841   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5293   -4.1443   -1.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5300   -1.7613    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395   -3.2773    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -0.4250   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798    0.9393    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967    3.0397    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    3.4213    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390    5.5521    2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    7.7925    3.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    9.5708    2.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890    7.0182    2.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123    4.7928    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951    1.7133    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -2.4681   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2227   -3.5197   -2.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1641   -1.4376   -3.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557   -2.0274   -4.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7135   -3.2090   -4.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527   -3.8821   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7911   -2.1609   -0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631   -0.9194   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670   -2.0043    2.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435   -3.4409    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -1.8753    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -2.0619   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562   -0.6255   -2.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3196   -2.5381   -3.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5843   -2.5618   -2.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600   -0.3289   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8912   -2.6986   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1274   -4.6371   -0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 10 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 21 34  2  0
  6 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  4  1  0
 34  8  1  0
 19 13  1  0
 32 23  1  0
  3 41  1  0
  4 42  1  0
  6 43  1  0
  9 44  1  0
 11 45  1  0
 12 46  1  0
 14 47  1  0
 15 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 23 53  1  0
 25 54  1  0
 26 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 29 59  1  0
 30 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
M  END

HEADER    PROTEIN                                 21-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-AUG-19         0                                  
HETATM    1  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.335  15.400   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   41  H   UNK     0       6.668   8.470   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       2.667   9.240   0.000  0.00  0.00           H+0
CONECT    1    2   11   41                                                  
CONECT    2    1   12   42                                                  
CONECT    3    5   11                                                       
CONECT    4    6   11                                                       
CONECT    5    3   13                                                       
CONECT    6    4   13                                                       
CONECT    7   12   14                                                       
CONECT    8   12   15                                                       
CONECT    9   14   15                                                       
CONECT   10   16   27                                                       
CONECT   11    1    3    4                                                  
CONECT   12    2    7    8                                                  
CONECT   13    5    6   28                                                  
CONECT   14    7    9   37                                                  
CONECT   15    8    9   38                                                  
CONECT   16   10   17   39                                                  
CONECT   17   16   18   29                                                  
CONECT   18   17   21   30                                                  
CONECT   19   20   22   31                                                  
CONECT   20   19   23   32                                                  
CONECT   21   18   25   33                                                  
CONECT   22   19   26   34                                                  
CONECT   23   20   24   40                                                  
CONECT   24   23   35   36                                                  
CONECT   25   21   37   39                                                  
CONECT   26   22   38   40                                                  
CONECT   27   10                                                            
CONECT   28   13                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   20                                                            
CONECT   33   21                                                            
CONECT   34   22                                                            
CONECT   35   24                                                            
CONECT   36   24                                                            
CONECT   37   14   25                                                       
CONECT   38   15   26                                                       
CONECT   39   16   25                                                       
CONECT   40   23   26                                                       
CONECT   41    1                                                            
CONECT   42    2                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

COMPND    HMDB0128508
HETATM    1  O1  UNL     1      -5.115  -0.275   1.511  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.784  -1.251   1.125  1.00  0.00           C  
HETATM    3  O2  UNL     1      -7.150  -1.238   1.311  1.00  0.00           O  
HETATM    4  C2  UNL     1      -5.147  -2.394   0.487  1.00  0.00           C  
HETATM    5  O3  UNL     1      -3.798  -2.340   0.314  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.321  -1.428  -0.592  1.00  0.00           C  
HETATM    7  O4  UNL     1      -1.927  -1.553  -0.618  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.970  -0.650  -0.245  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.273   0.597   0.241  1.00  0.00           C  
HETATM   10  C6  UNL     1      -0.239   1.460   0.599  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.632   2.783   1.113  1.00  0.00           C  
HETATM   12  C8  UNL     1       0.266   3.658   1.474  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.088   5.006   1.999  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.924   5.868   2.357  1.00  0.00           C  
HETATM   15  C11 UNL     1       0.638   7.105   2.839  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.646   7.546   2.990  1.00  0.00           C  
HETATM   17  O5  UNL     1      -0.880   8.825   3.490  1.00  0.00           O  
HETATM   18  C13 UNL     1      -1.664   6.695   2.636  1.00  0.00           C  
HETATM   19  C14 UNL     1      -1.385   5.427   2.141  1.00  0.00           C  
HETATM   20  C15 UNL     1       1.064   1.085   0.475  1.00  0.00           C  
HETATM   21  C16 UNL     1       1.378  -0.194  -0.023  1.00  0.00           C  
HETATM   22  O6  UNL     1       2.700  -0.556  -0.142  1.00  0.00           O  
HETATM   23  C17 UNL     1       3.250  -1.737  -0.594  1.00  0.00           C  
HETATM   24  O7  UNL     1       4.031  -1.495  -1.731  1.00  0.00           O  
HETATM   25  C18 UNL     1       4.803  -2.582  -2.094  1.00  0.00           C  
HETATM   26  C19 UNL     1       5.463  -2.285  -3.412  1.00  0.00           C  
HETATM   27  O8  UNL     1       6.241  -3.372  -3.784  1.00  0.00           O  
HETATM   28  C20 UNL     1       5.936  -2.837  -1.092  1.00  0.00           C  
HETATM   29  O9  UNL     1       7.163  -2.487  -1.601  1.00  0.00           O  
HETATM   30  C21 UNL     1       5.572  -1.988   0.134  1.00  0.00           C  
HETATM   31  O10 UNL     1       6.450  -2.182   1.175  1.00  0.00           O  
HETATM   32  C22 UNL     1       4.145  -2.344   0.470  1.00  0.00           C  
HETATM   33  O11 UNL     1       3.790  -1.927   1.751  1.00  0.00           O  
HETATM   34  C23 UNL     1       0.373  -1.051  -0.379  1.00  0.00           C  
HETATM   35  C24 UNL     1      -3.897  -1.581  -1.974  1.00  0.00           C  
HETATM   36  O12 UNL     1      -3.147  -2.542  -2.653  1.00  0.00           O  
HETATM   37  C25 UNL     1      -5.331  -1.995  -2.000  1.00  0.00           C  
HETATM   38  O13 UNL     1      -6.119  -0.826  -2.058  1.00  0.00           O  
HETATM   39  C26 UNL     1      -5.781  -2.784  -0.827  1.00  0.00           C  
HETATM   40  O14 UNL     1      -5.529  -4.144  -1.012  1.00  0.00           O  
HETATM   41  H1  UNL     1      -7.530  -1.761   2.086  1.00  0.00           H  
HETATM   42  H2  UNL     1      -5.340  -3.277   1.181  1.00  0.00           H  
HETATM   43  H3  UNL     1      -3.571  -0.425  -0.198  1.00  0.00           H  
HETATM   44  H4  UNL     1      -2.280   0.939   0.358  1.00  0.00           H  
HETATM   45  H5  UNL     1      -1.697   3.040   1.195  1.00  0.00           H  
HETATM   46  H6  UNL     1       1.328   3.421   1.400  1.00  0.00           H  
HETATM   47  H7  UNL     1       1.939   5.552   2.251  1.00  0.00           H  
HETATM   48  H8  UNL     1       1.440   7.793   3.125  1.00  0.00           H  
HETATM   49  H9  UNL     1      -0.941   9.571   2.815  1.00  0.00           H  
HETATM   50  H10 UNL     1      -2.689   7.018   2.745  1.00  0.00           H  
HETATM   51  H11 UNL     1      -2.212   4.793   1.876  1.00  0.00           H  
HETATM   52  H12 UNL     1       1.895   1.713   0.737  1.00  0.00           H  
HETATM   53  H13 UNL     1       2.494  -2.468  -0.883  1.00  0.00           H  
HETATM   54  H14 UNL     1       4.223  -3.520  -2.222  1.00  0.00           H  
HETATM   55  H15 UNL     1       6.164  -1.438  -3.243  1.00  0.00           H  
HETATM   56  H16 UNL     1       4.756  -2.027  -4.208  1.00  0.00           H  
HETATM   57  H17 UNL     1       6.714  -3.209  -4.639  1.00  0.00           H  
HETATM   58  H18 UNL     1       5.953  -3.882  -0.757  1.00  0.00           H  
HETATM   59  H19 UNL     1       7.791  -2.161  -0.914  1.00  0.00           H  
HETATM   60  H20 UNL     1       5.563  -0.919  -0.220  1.00  0.00           H  
HETATM   61  H21 UNL     1       5.967  -2.004   2.031  1.00  0.00           H  
HETATM   62  H22 UNL     1       4.044  -3.441   0.432  1.00  0.00           H  
HETATM   63  H23 UNL     1       2.802  -1.875   1.772  1.00  0.00           H  
HETATM   64  H24 UNL     1       0.559  -2.062  -0.774  1.00  0.00           H  
HETATM   65  H25 UNL     1      -3.756  -0.625  -2.520  1.00  0.00           H  
HETATM   66  H26 UNL     1      -3.320  -2.538  -3.612  1.00  0.00           H  
HETATM   67  H27 UNL     1      -5.584  -2.562  -2.921  1.00  0.00           H  
HETATM   68  H28 UNL     1      -6.060  -0.329  -1.193  1.00  0.00           H  
HETATM   69  H29 UNL     1      -6.891  -2.699  -0.661  1.00  0.00           H  
HETATM   70  H30 UNL     1      -6.127  -4.637  -0.416  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   41
CONECT    4    5   39   42
CONECT    5    6
CONECT    6    7   35   43
CONECT    7    8
CONECT    8    9    9   34
CONECT    9   10   44
CONECT   10   11   20   20
CONECT   11   12   12   45
CONECT   12   13   46
CONECT   13   14   14   19
CONECT   14   15   47
CONECT   15   16   16   48
CONECT   16   17   18
CONECT   17   49
CONECT   18   19   19   50
CONECT   19   51
CONECT   20   21   52
CONECT   21   22   34   34
CONECT   22   23
CONECT   23   24   32   53
CONECT   24   25
CONECT   25   26   28   54
CONECT   26   27   55   56
CONECT   27   57
CONECT   28   29   30   58
CONECT   29   59
CONECT   30   31   32   60
CONECT   31   61
CONECT   32   33   62
CONECT   33   63
CONECT   34   64
CONECT   35   36   37   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68
CONECT   39   40   69
CONECT   40   70
END

HMDB0128508
     RDKit          3D
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6...
 70 73  0  0  0  0  0  0  0  0999 V2000
   -5.1147   -0.2747    1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7837   -1.2510    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1497   -1.2376    1.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1469   -2.3939    0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976   -2.3403    0.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214   -1.4285   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -1.5530   -0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -0.6503   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    0.5973    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    1.4599    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317    2.7829    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    3.6581    1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878    5.0060    1.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    5.8682    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    7.1046    2.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460    7.5463    2.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8800    8.8252    3.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    6.6952    2.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849    5.4272    2.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0644    1.0854    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3779   -0.1937   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -0.5558   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499   -1.7371   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313   -1.4948   -1.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8029   -2.5817   -2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4634   -2.2847   -3.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   -3.3718   -3.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -2.8367   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1632   -2.4867   -1.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -1.9878    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504   -2.1816    1.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445   -2.3440    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -1.9273    1.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.0511   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8972   -1.5813   -1.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -2.5422   -2.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3305   -1.9949   -2.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1194   -0.8259   -2.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7808   -2.7841   -0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5293   -4.1443   -1.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5300   -1.7613    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395   -3.2773    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -0.4250   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798    0.9393    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967    3.0397    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    3.4213    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390    5.5521    2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    7.7925    3.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    9.5708    2.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890    7.0182    2.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123    4.7928    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951    1.7133    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -2.4681   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2227   -3.5197   -2.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1641   -1.4376   -3.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557   -2.0274   -4.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7135   -3.2090   -4.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527   -3.8821   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7911   -2.1609   -0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631   -0.9194   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670   -2.0043    2.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435   -3.4409    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -1.8753    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -2.0619   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562   -0.6255   -2.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3196   -2.5381   -3.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5843   -2.5618   -2.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600   -0.3289   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8912   -2.6986   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1274   -4.6371   -0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 10 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 21 34  2  0
  6 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  4  1  0
 34  8  1  0
 19 13  1  0
 32 23  1  0
  3 41  1  0
  4 42  1  0
  6 43  1  0
  9 44  1  0
 11 45  1  0
 12 46  1  0
 14 47  1  0
 15 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 23 53  1  0
 25 54  1  0
 26 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 29 59  1  0
 30 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,4,5-Trihydroxy-6-{3-[(e)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylate	Generator

Chemical Formula

C₂₆H₃₀O₁₄

Average Molecular Weight

566.512

Monoisotopic Molecular Weight

566.163555646

IUPAC Name

3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

Traditional Name

3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)37-14-7-12(2-1-11-3-5-13(28)6-4-11)8-15(9-14)38-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+

InChI Key

SSZYARBRHYOZQM-OWOJBTEDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Stilbene glycosides

Direct Parent

Stilbene glycosides

Alternative Parents

Substituents

Stilbene glycoside
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Glycosyl compound
O-glycosyl compound
Phenoxy compound
Phenol ether
Styrene
Beta-hydroxy acid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Pyran
Monocyclic benzene moiety
Oxane
Hydroxy acid
Monosaccharide
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Carboxylic acid derivative
Carboxylic acid
Acetal
Monocarboxylic acid or derivatives
Carbonyl group
Alcohol
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 32966057)

Excreta

Biofluid or Excreta

Urine (PMID: 32966057)

Source

Endogenous

Endogenous (HMDB: HMDB0128508)

Plant

Plant (HMDB: HMDB0128508)

Red wine (HMDB: HMDB0128508)

Fruit

Grapes (HMDB: HMDB0128508)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.15	ALOGPS
logP	-0.81	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	3.05	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	236.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	131.61 m³·mol⁻¹	ChemAxon
Polarizability	54.91 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	226.629	30932474
DeepCCS	[M-H]-	224.239	30932474
DeepCCS	[M-2H]-	257.48	30932474
DeepCCS	[M+Na]+	232.542	30932474
AllCCS	[M+H]+	226.7	32859911
AllCCS	[M+H-H2O]+	225.2	32859911
AllCCS	[M+NH4]+	228.0	32859911
AllCCS	[M+Na]+	228.3	32859911
AllCCS	[M-H]-	219.2	32859911
AllCCS	[M+Na-2H]-	220.9	32859911
AllCCS	[M+HCOO]-	222.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid	[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1	5747.1	Standard polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid	[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1	4971.9	Standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid	[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1	5245.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5163.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C1O	5169.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C1O	5165.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O	5185.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O	5167.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C1O	5181.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O)C1O	5191.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5124.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C=C1	5223.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5122.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5053.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C1O	5089.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	5096.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C1O	5123.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C1O	5117.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C	5101.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C=C1	5105.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5039.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #18	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	5073.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #19	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C1O	5078.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5054.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #20	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)OC(C(=O)O)C(O)C1O	5109.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C	5127.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5144.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5075.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #24	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)OC(CO)C(O)C1O	5105.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #25	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5111.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #26	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	5141.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5079.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C=C1	5114.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #29	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5131.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5086.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #30	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C	5119.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #31	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	5151.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C=C1	5131.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #33	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5076.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5163.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #35	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5106.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #36	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5091.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5099.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5125.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5127.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5102.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5111.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C=C1	5119.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5004.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5006.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4988.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4950.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4966.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5000.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5017.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5028.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4990.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5010.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5046.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5034.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5037.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4999.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5015.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5067.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5032.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5048.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5035.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5059.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5017.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	4996.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5043.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C=C1	5050.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C=C1	5051.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5092.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	5040.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	5071.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4944.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #36	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4971.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5013.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #38	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4964.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #39	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4977.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5086.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	5010.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C1O	5031.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C1O	5013.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #43	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	4989.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	5056.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C1O	5019.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #46	C[Si](C)(C)OC1C(O)C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(C(=O)O)C1O	4993.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O	5050.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #48	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(C(=O)O)C(O)C1O	5025.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5046.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5089.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #50	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4973.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C=C1	5022.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C=C1	5035.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5068.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	5081.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #55	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4979.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #56	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4994.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #57	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4941.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #58	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4953.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #59	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	5029.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5040.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #60	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5013.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #61	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C1O	4991.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #62	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C1O	5038.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #63	C[Si](C)(C)OC1C(O)C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(C(=O)O)C1O	5034.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #64	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(C(=O)O)C(O)C1O	5065.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #65	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5022.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5067.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5070.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	5114.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #69	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5030.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5054.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #70	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4984.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #71	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4992.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #72	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5022.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #73	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	5043.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #74	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	5067.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #75	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5016.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #76	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5025.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #77	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4998.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	5057.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	5082.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	4971.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #80	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5068.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	5107.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #82	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5026.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #83	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5013.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #84	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5065.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4962.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	4912.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4916.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4957.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4992.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #102	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4933.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #103	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4874.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #104	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4900.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #105	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4893.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #106	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4908.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #107	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4869.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #108	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4956.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #109	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C	4938.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4938.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #110	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C1O	4942.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #111	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O[Si](C)(C)C	4963.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #112	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4974.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #113	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4909.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #114	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4932.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	4966.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4991.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	5000.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #118	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4936.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #119	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4951.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4972.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #120	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4911.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #121	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	4971.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #122	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4963.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #123	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4925.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #124	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4956.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #125	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	5001.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #126	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4954.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4968.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4923.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4940.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5011.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4956.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4982.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4967.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4891.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4985.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4947.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4893.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4932.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4919.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4866.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4892.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4913.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4898.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4842.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4954.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4872.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4956.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4902.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4929.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4899.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4926.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4883.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4942.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4948.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4901.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4936.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4926.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4967.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4923.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4946.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4937.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4954.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4921.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4975.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4930.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4952.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4874.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4938.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4955.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4919.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4971.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4988.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4952.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4971.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #57	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4879.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #58	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4904.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #59	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4954.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4904.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #60	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4895.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #61	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4916.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	4929.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4952.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	4949.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4971.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	4923.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4948.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4980.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C2)C=C1	4963.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	4941.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4991.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4973.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #72	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4883.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #73	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4910.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #74	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4851.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #75	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4877.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #76	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4932.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #77	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4880.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #78	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4900.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #79	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4919.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4960.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #80	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4936.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #81	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4897.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #82	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	4958.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #83	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C1O	4933.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O[Si](C)(C)C	4914.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #85	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O	4951.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #86	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	4933.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #87	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	4931.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #88	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O	4959.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #89	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C	4940.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4968.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #90	C[Si](C)(C)OC1C(O)C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(C(=O)O)C1O	4934.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #91	C[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(C(=O)O)C(O)C1O	4961.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #92	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	4901.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #93	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4923.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #94	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4869.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #95	C[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4890.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C=C1	4926.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C=C1	4948.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4953.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C=C1	4952.3	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5393.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C1O	5422.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C1O	5421.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O	5431.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O	5417.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C1O	5444.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O)C1O	5446.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5392.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C=C1	5473.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5544.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5490.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O)C1O	5502.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C1O	5527.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O	5547.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5532.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5517.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C=C1	5562.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C(O)C1O	5483.4	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C1O	5491.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C1O	5521.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5475.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)OC(C(=O)O)C(O)C1O	5537.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5546.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C=C1	5584.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5501.6	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)OC(CO)C(O)C1O	5515.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5538.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)OC(CO)C(O)C1O	5563.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5511.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C=C1	5562.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	5554.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5477.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5543.7	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	5583.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C=C1	5596.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5537.2	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C=C1	5617.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5549.1	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5556.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C(O)C1O	5512.5	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5527.8	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5524.9	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5518.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5495.0	Semi standard non polar	33892256
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(OC3OC(C(=O)O)C(O)C(O)C3O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C=C1	5564.5	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 - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-052b-6700690000-89522dec579d61335401	2017-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS ("3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	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 - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 10V, Negative-QTOF	splash10-014s-0325390000-551c2a9c31f5fae7e8fa	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 20V, Negative-QTOF	splash10-0k9i-1249230000-8e0c187151cff8b17eaf	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 40V, Negative-QTOF	splash10-05r0-5296000000-5c92a10de5630f426460	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 10V, Negative-QTOF	splash10-014i-0221390000-e326e28489223269f643	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 20V, Negative-QTOF	splash10-056r-2192310000-3fcb98fdd195c015488b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 40V, Negative-QTOF	splash10-004i-2291200000-038bce6fc530a0da8533	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 10V, Positive-QTOF	splash10-059e-0139250000-f3280646ffd4ade9b80d	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 20V, Positive-QTOF	splash10-004i-0295000000-6ae60a7877be5bb99a77	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 40V, Positive-QTOF	splash10-004i-1291000000-dca5c1e336f3c3b1caa6	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 10V, Positive-QTOF	splash10-014s-0315390000-04d11db22dae78a5888f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 20V, Positive-QTOF	splash10-000i-0129210000-4de65e72c8a31173a0b6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid 40V, Positive-QTOF	splash10-0a4i-4231910000-859807869a1d4710b120	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

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

FDB087363

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131834840

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

Djoumbou Feunang, Yannick (2017). Cheminformatics Tools for Enabling Metabolomics, 2017 (PhD thesis). University of Alberta.

Showing metabocard for 3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid (HMDB0128508)

MOL for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

3D MOL for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

3D SDF for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

3D-SDF for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

PDB for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

3D PDB for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

SMILES for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

INCHI for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

Structure for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

3D Structure for HMDB0128508 (3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra