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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:31:15 UTC

Update Date

2022-03-07 02:52:12 UTC

HMDB ID

HMDB0029577

Secondary Accession Numbers

HMDB29577

Metabolite Identification

Common Name

6-Hydroxydaidzein 4'-glucoside

Description

6-Hydroxydaidzein 4'-glucoside belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Based on a literature review very few articles have been published on 6-Hydroxydaidzein 4'-glucoside.

Structure

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


  Mrv0541 02241208032D          

 31 34  0  0  0  0            999 V2000
    1.4294    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END

HMDB0029577
     RDKit          3D
6-Hydroxydaidzein 4'-glucoside
 51 54  0  0  0  0  0  0  0  0999 V2000
    3.6195    0.2233   -1.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -0.1621   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.4010    0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.2195    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -0.7107   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -0.5554   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989    0.0878    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.1827   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4408    0.7809    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167   -0.1165    0.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -0.6934   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4225   -1.2223    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1743   -2.1830    1.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4185    0.2553   -1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6782   -0.0066   -1.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4377    1.6631   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3800    1.7418    0.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548    1.9836   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    2.3392   -1.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016    0.5702    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    0.4157    1.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.8230    1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540   -0.9822    2.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -0.7609    1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724   -0.9601    1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0756   -0.7151    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4184   -0.9080    0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6523   -0.2913   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053   -0.0352   -1.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2853   -0.1091   -1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734   -0.3395   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -1.2211   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.9541   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    1.1834    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5590   -1.5685   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0064   -0.4230    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0101   -1.7642   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -1.6787    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129    0.1476   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5899   -0.0266   -2.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6540    2.3966   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0585    2.4833    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634    2.8555    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    1.6417   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    1.0799    1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.8110    2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -1.0210    2.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.2942    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1488   -0.7686   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999   -0.1525   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986    0.2248   -2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  2  0
  3 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31  2  1  0
 21  4  1  0
 31 24  1  0
 18  9  1  0
  5 32  1  0
  6 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 25 48  1  0
 27 49  1  0
 29 50  1  0
 30 51  1  0
M  END


  Mrv0541 02241208032D          

 31 34  0  0  0  0            999 V2000
    1.4294    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0017   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029577

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-3-1-9(2-4-10)12-8-29-15-6-14(24)13(23)5-11(15)17(12)25/h1-6,8,16,18-24,26-28H,7H2

> <INCHI_KEY>
ZWSNUPOSLDAWJS-UHFFFAOYSA-N

> <FORMULA>
C21H20O10

> <MOLECULAR_WEIGHT>
432.3775

> <EXACT_MASS>
432.10564686

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
42.20310754034407

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,7-dihydroxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
0.81

> <JCHEM_LOGP>
0.15880429633333332

> <ALOGPS_LOGS>
-2.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.804668083402166

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.583830248817718

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343686506

> <JCHEM_POLAR_SURFACE_AREA>
166.14000000000001

> <JCHEM_REFRACTIVITY>
103.8273

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.29e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,7-dihydroxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029577
     RDKit          3D
6-Hydroxydaidzein 4'-glucoside
 51 54  0  0  0  0  0  0  0  0999 V2000
    3.6195    0.2233   -1.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -0.1621   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.4010    0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.2195    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -0.7107   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -0.5554   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989    0.0878    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.1827   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4408    0.7809    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167   -0.1165    0.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -0.6934   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4225   -1.2223    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1743   -2.1830    1.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4185    0.2553   -1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6782   -0.0066   -1.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4377    1.6631   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3800    1.7418    0.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548    1.9836   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    2.3392   -1.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016    0.5702    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    0.4157    1.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.8230    1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540   -0.9822    2.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -0.7609    1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724   -0.9601    1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0756   -0.7151    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4184   -0.9080    0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6523   -0.2913   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053   -0.0352   -1.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2853   -0.1091   -1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734   -0.3395   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -1.2211   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.9541   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    1.1834    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5590   -1.5685   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0064   -0.4230    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0101   -1.7642   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -1.6787    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129    0.1476   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5899   -0.0266   -2.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6540    2.3966   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0585    2.4833    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634    2.8555    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    1.6417   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    1.0799    1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.8110    2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -1.0210    2.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.2942    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1488   -0.7686   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999   -0.1525   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986    0.2248   -2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  2  0
  3 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31  2  1  0
 21  4  1  0
 31 24  1  0
 18  9  1  0
  5 32  1  0
  6 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 25 48  1  0
 27 49  1  0
 29 50  1  0
 30 51  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       2.668   2.695   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.000   1.925   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.000   0.385   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.668  -0.385   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.335   2.695   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.667   1.925   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   2.695   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       9.337   1.925   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       8.002  -0.385   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.667   0.385   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -0.385   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335  -1.925   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -4.000   1.925   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -4.000   0.385   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.668  -0.385   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.668  -1.925   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.000  -2.695   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -9.337   0.385   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -8.002  -0.385   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.670   0.385   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -0.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335  -1.925   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.670  -2.695   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.002  -1.925   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -9.337  -2.695   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.333   0.385   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.333   1.925   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.001   2.695   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334   1.925   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334   0.385   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.001  -0.385   0.000  0.00  0.00           C+0
CONECT    1    2   29                                                       
CONECT    2    1    3    5                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    6    9   11                                                  
CONECT   11    3   10   12                                                  
CONECT   12   11                                                            
CONECT   13   14                                                            
CONECT   14   13   15   21                                                  
CONECT   15   14   16   26                                                  
CONECT   16   15   17                                                       
CONECT   17   16   22                                                       
CONECT   18   19                                                            
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   14   20   22                                                  
CONECT   22   17   21   23                                                  
CONECT   23   22   24                                                       
CONECT   24   19   23   25                                                  
CONECT   25   24                                                            
CONECT   26   15   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29    1   28   30                                                  
CONECT   30   29   31                                                       
CONECT   31   26   30                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0253638
HETATM    1  O1  UNL     1       3.459  -1.603  -0.501  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.966  -0.543  -0.005  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.154   0.471   0.450  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.710   0.367   0.379  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.124  -0.089  -0.763  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.267  -0.176  -0.797  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.039   0.183   0.279  1.00  0.00           C  
HETATM    8  O2  UNL     1      -2.393   0.094   0.236  1.00  0.00           O  
HETATM    9  C7  UNL     1      -3.234  -0.330  -0.782  1.00  0.00           C  
HETATM   10  O3  UNL     1      -4.139   0.696  -1.122  1.00  0.00           O  
HETATM   11  C8  UNL     1      -4.718   1.120   0.085  1.00  0.00           C  
HETATM   12  C9  UNL     1      -5.387   2.447  -0.187  1.00  0.00           C  
HETATM   13  O4  UNL     1      -6.368   2.284  -1.174  1.00  0.00           O  
HETATM   14  C10 UNL     1      -5.723   0.054   0.490  1.00  0.00           C  
HETATM   15  O5  UNL     1      -6.994   0.584   0.305  1.00  0.00           O  
HETATM   16  C11 UNL     1      -5.553  -1.198  -0.347  1.00  0.00           C  
HETATM   17  O6  UNL     1      -6.214  -2.227   0.319  1.00  0.00           O  
HETATM   18  C12 UNL     1      -4.078  -1.527  -0.366  1.00  0.00           C  
HETATM   19  O7  UNL     1      -3.747  -1.911   0.950  1.00  0.00           O  
HETATM   20  C13 UNL     1      -0.432   0.654   1.458  1.00  0.00           C  
HETATM   21  C14 UNL     1       0.937   0.727   1.459  1.00  0.00           C  
HETATM   22  C15 UNL     1       3.759   1.599   0.978  1.00  0.00           C  
HETATM   23  O8  UNL     1       5.068   1.717   1.054  1.00  0.00           O  
HETATM   24  C16 UNL     1       5.893   0.777   0.634  1.00  0.00           C  
HETATM   25  C17 UNL     1       7.257   0.900   0.712  1.00  0.00           C  
HETATM   26  C18 UNL     1       8.048  -0.126   0.252  1.00  0.00           C  
HETATM   27  O9  UNL     1       9.450  -0.047   0.311  1.00  0.00           O  
HETATM   28  C19 UNL     1       7.507  -1.283  -0.289  1.00  0.00           C  
HETATM   29  O10 UNL     1       8.342  -2.294  -0.742  1.00  0.00           O  
HETATM   30  C20 UNL     1       6.138  -1.419  -0.374  1.00  0.00           C  
HETATM   31  C21 UNL     1       5.331  -0.380   0.092  1.00  0.00           C  
HETATM   32  H1  UNL     1       1.695  -0.389  -1.652  1.00  0.00           H  
HETATM   33  H2  UNL     1      -0.688  -0.548  -1.735  1.00  0.00           H  
HETATM   34  H3  UNL     1      -2.651  -0.627  -1.665  1.00  0.00           H  
HETATM   35  H4  UNL     1      -3.910   1.245   0.818  1.00  0.00           H  
HETATM   36  H5  UNL     1      -5.913   2.841   0.705  1.00  0.00           H  
HETATM   37  H6  UNL     1      -4.611   3.153  -0.500  1.00  0.00           H  
HETATM   38  H7  UNL     1      -6.399   3.100  -1.757  1.00  0.00           H  
HETATM   39  H8  UNL     1      -5.594  -0.176   1.549  1.00  0.00           H  
HETATM   40  H9  UNL     1      -7.362   0.900   1.170  1.00  0.00           H  
HETATM   41  H10 UNL     1      -5.955  -1.062  -1.371  1.00  0.00           H  
HETATM   42  H11 UNL     1      -6.850  -2.706  -0.297  1.00  0.00           H  
HETATM   43  H12 UNL     1      -3.928  -2.395  -1.040  1.00  0.00           H  
HETATM   44  H13 UNL     1      -3.549  -2.878   1.007  1.00  0.00           H  
HETATM   45  H14 UNL     1      -1.050   0.934   2.302  1.00  0.00           H  
HETATM   46  H15 UNL     1       1.384   1.099   2.392  1.00  0.00           H  
HETATM   47  H16 UNL     1       3.179   2.434   1.354  1.00  0.00           H  
HETATM   48  H17 UNL     1       7.692   1.789   1.129  1.00  0.00           H  
HETATM   49  H18 UNL     1      10.039  -0.790  -0.022  1.00  0.00           H  
HETATM   50  H19 UNL     1       7.942  -3.134  -1.135  1.00  0.00           H  
HETATM   51  H20 UNL     1       5.672  -2.310  -0.791  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   31
CONECT    3    4   22   22
CONECT    4    5    5   21
CONECT    5    6   32
CONECT    6    7    7   33
CONECT    7    8   20
CONECT    8    9
CONECT    9   10   18   34
CONECT   10   11
CONECT   11   12   14   35
CONECT   12   13   36   37
CONECT   13   38
CONECT   14   15   16   39
CONECT   15   40
CONECT   16   17   18   41
CONECT   17   42
CONECT   18   19   43
CONECT   19   44
CONECT   20   21   21   45
CONECT   21   46
CONECT   22   23   47
CONECT   23   24
CONECT   24   25   25   31
CONECT   25   26   48
CONECT   26   27   28   28
CONECT   27   49
CONECT   28   29   30
CONECT   29   50
CONECT   30   31   31   51
END

HMDB0029577
     RDKit          3D
6-Hydroxydaidzein 4'-glucoside
 51 54  0  0  0  0  0  0  0  0999 V2000
    3.6195    0.2233   -1.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -0.1621   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.4010    0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.2195    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -0.7107   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -0.5554   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989    0.0878    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.1827   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4408    0.7809    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167   -0.1165    0.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -0.6934   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4225   -1.2223    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1743   -2.1830    1.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4185    0.2553   -1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6782   -0.0066   -1.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4377    1.6631   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3800    1.7418    0.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548    1.9836   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248    2.3392   -1.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016    0.5702    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    0.4157    1.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.8230    1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540   -0.9822    2.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -0.7609    1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724   -0.9601    1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0756   -0.7151    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4184   -0.9080    0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6523   -0.2913   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053   -0.0352   -1.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2853   -0.1091   -1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734   -0.3395   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -1.2211   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.9541   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    1.1834    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5590   -1.5685   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0064   -0.4230    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0101   -1.7642   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -1.6787    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129    0.1476   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5899   -0.0266   -2.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6540    2.3966   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0585    2.4833    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634    2.8555    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    1.6417   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    1.0799    1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.8110    2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -1.0210    2.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.2942    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1488   -0.7686   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999   -0.1525   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986    0.2248   -2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  2  0
  3 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31  2  1  0
 21  4  1  0
 31 24  1  0
 18  9  1  0
  5 32  1  0
  6 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 25 48  1  0
 27 49  1  0
 29 50  1  0
 30 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₁H₂₀O₁₀

Average Molecular Weight

432.3775

Monoisotopic Molecular Weight

432.10564686

IUPAC Name

6,7-dihydroxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one

Traditional Name

6,7-dihydroxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-3-1-9(2-4-10)12-8-29-15-6-14(24)13(23)5-11(15)17(12)25/h1-6,8,16,18-24,26-28H,7H2

InChI Key

ZWSNUPOSLDAWJS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid O-glycosides

Direct Parent

Isoflavonoid O-glycosides

Alternative Parents

Substituents

Isoflavonoid-4p-o-glycoside
Isoflavonoid o-glycoside
Isoflavone
Hydroxyisoflavonoid
Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
1-benzopyran
Phenoxy compound
Phenol ether
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Pyran
Monosaccharide
Oxane
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Primary alcohol
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029577)
Cytoplasm (HMDB: HMDB0029577)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029577)

Source

Endogenous

Endogenous (HMDB: HMDB0029577)

Plant

Plant (HMDB: HMDB0029577)
Fabaceae (HMDB: HMDB0029577)

Exogenous

Food

Food (HMDB: HMDB0029577)

Pulse

Pulses (FooDB: FOOD00867)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.73 g/L	ALOGPS
logP	0.81	ALOGPS
logP	0.16	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	6.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	103.83 m³·mol⁻¹	ChemAxon
Polarizability	42.2 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	200.552	31661259
DarkChem	[M-H]-	202.219	31661259
DeepCCS	[M+H]+	200.625	30932474
DeepCCS	[M-H]-	198.267	30932474
DeepCCS	[M-2H]-	231.628	30932474
DeepCCS	[M+Na]+	206.853	30932474
AllCCS	[M+H]+	199.8	32859911
AllCCS	[M+H-H2O]+	197.4	32859911
AllCCS	[M+NH4]+	202.1	32859911
AllCCS	[M+Na]+	202.7	32859911
AllCCS	[M-H]-	196.3	32859911
AllCCS	[M+Na-2H]-	196.6	32859911
AllCCS	[M+HCOO]-	197.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-Hydroxydaidzein 4'-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O	4801.7	Standard polar	33892256
6-Hydroxydaidzein 4'-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O	4171.4	Standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside	OCC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=C(O)C=C3C2=O)C(O)C(O)C1O	4320.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O	4305.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)=CO2	4293.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)C2=O	4265.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)OC(CO)C(O)C1O	4265.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C1O	4274.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C1O	4268.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O	4146.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C1)C2=O	4092.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C1)C2=O	4095.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C1)C2=O	4095.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C1O	4111.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1C(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C	4117.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C1O[Si](C)(C)C	4109.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O	4131.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O	4142.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O	4135.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C	4139.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C1)=CO2	4105.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C1)=CO2	4110.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C1)=CO2	4099.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)=CO2	4169.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O	4054.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4032.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C1)=CO2	3948.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C1)=CO2	3961.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C1)=CO2	4032.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)=CO2	3968.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C1)=CO2	4014.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C1)=CO2	4030.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C1)C2=O	3948.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C1)C2=O	3968.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)C2=O	3969.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3983.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4026.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3999.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3995.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3986.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3991.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3989.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4027.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4061.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3967.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4039.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)=CO2	3901.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C1)=CO2	3917.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C1)=CO2	3951.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)=CO2	3942.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)C2=O	3906.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3940.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3970.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3912.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3937.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3904.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3915.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3940.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3908.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3897.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3924.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3889.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3899.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3893.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,5TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1)=CO2	3901.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3885.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O	4563.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)=CO2	4547.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)C2=O	4518.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)OC(CO)C(O)C1O	4550.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C1O	4558.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C1O	4552.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O	4664.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C1)C2=O	4658.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)C2=O	4655.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)C2=O	4656.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4669.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4672.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4656.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O	4649.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4678.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4681.6	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4674.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C1)=CO2	4675.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)=CO2	4675.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4665.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C1)=CO2	4669.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O	4755.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4741.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)=CO2	4736.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4745.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C1)=CO2	4763.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4760.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)=CO2	4746.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4742.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)C2=O	4729.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)C2=O	4741.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1)C2=O	4756.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4729.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4741.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4758.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4752.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4725.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4747.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4740.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4741.7	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4778.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4806.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4840.2	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4806.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1)=CO2	4801.9	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4810.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(=O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	4819.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)OC=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1)C2=O	4803.3	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4826.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4829.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4817.1	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4842.5	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4823.0	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4813.8	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4838.4	Semi standard non polar	33892256
6-Hydroxydaidzein 4'-glucoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=COC4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C4C3=O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4816.6	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 - 6-Hydroxydaidzein 4'-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0h90-7934600000-ec3fc148726b9d142e03	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-001i-5410219000-0d1aed7acfc834bbf860	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxydaidzein 4'-glucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	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 - 6-Hydroxydaidzein 4'-glucoside 10V, Positive-QTOF	splash10-00e9-0190500000-fa205fb70bcc4b680ace	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 20V, Positive-QTOF	splash10-00di-0090000000-7da0ba908d8aadbd0f76	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 40V, Positive-QTOF	splash10-0ukc-2390000000-386c5b08848855bcd226	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 10V, Negative-QTOF	splash10-00lr-1260900000-6e793c22ce56e7820897	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 20V, Negative-QTOF	splash10-014i-1290100000-4ef1fbc5af772de4101b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 40V, Negative-QTOF	splash10-014l-5490000000-3d8f396070c3be2c70df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 10V, Negative-QTOF	splash10-014i-0190100000-57cc717017ec0a11f399	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 20V, Negative-QTOF	splash10-014i-5093400000-307895faa64ed75696f4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 40V, Negative-QTOF	splash10-00ku-1390000000-bd1840a0b2964498192c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 10V, Positive-QTOF	splash10-00e9-0270900000-d852317d2e21e9ac781d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 20V, Positive-QTOF	splash10-03di-0119300000-9efdb7e6c3b071c0da81	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxydaidzein 4'-glucoside 40V, Positive-QTOF	splash10-05fr-5294100000-0bbd18e042dfcc64fed2	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000733

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

131750883

PDB ID

Not Available

ChEBI ID

176077

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 6-Hydroxydaidzein 4'-glucoside (HMDB0029577)

MOL for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

3D MOL for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

3D SDF for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

3D-SDF for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

PDB for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

3D PDB for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

SMILES for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

INCHI for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

Structure for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

3D Structure for HMDB0029577 (6-Hydroxydaidzein 4'-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra