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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:07:02 UTC

Update Date

2022-03-07 02:55:54 UTC

HMDB ID

HMDB0038772

Secondary Accession Numbers

HMDB38772

Metabolite Identification

Common Name

8-Hydroxyluteolin 4'-methyl ether 8-glucuronide

Description

8-Hydroxyluteolin 4'-methyl ether 8-glucuronide belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position. Thus, 8-hydroxyluteolin 4'-methyl ether 8-glucuronide is considered to be a flavonoid. Based on a literature review very few articles have been published on 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide.

Structure

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

  Mrv0541 05061310382D          

 35 38  0  0  0  0            999 V2000
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    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   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  2  0  0  0  0
 31 21  1  0  0  0  0
 32  1  1  0  0  0  0
 32 12  1  0  0  0  0
 33 13  1  0  0  0  0
 33 19  1  0  0  0  0
 34 18  1  0  0  0  0
 34 22  1  0  0  0  0
 35 20  1  0  0  0  0
 35 22  1  0  0  0  0
M  END

HMDB0038772
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    3.4057    2.5830    4.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    2.5945    3.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    2.2373    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    1.8770    2.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    1.5226    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.5165   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.1312   -1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    1.1002   -2.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236    0.7392   -3.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165    0.7337   -4.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.3968   -3.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    0.0231   -4.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.0329   -6.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -0.3096   -4.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2538   -3.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248   -0.5818   -3.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871    0.1146   -2.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.1609   -1.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -0.9284   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.6514    0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411   -1.6576    1.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -1.6558    2.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -0.8331    2.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -2.5731    3.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.4616    2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148   -0.6517    3.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409   -0.7372    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2023   -0.8503    1.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -1.3442   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800   -2.7248   -0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.4538   -2.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    0.7986   -1.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    1.8737   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4321    2.2329    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    2.5949    1.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    1.5969    4.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    2.8672    5.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    3.3507    4.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    1.8871    3.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    1.2422    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.3679   -2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.1471   -6.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.6028   -5.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.8620   -4.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -1.8000   -0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -2.6627    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -2.3902    4.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5370   -2.4357    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647   -1.0013    4.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132    0.3333    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.1037    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -0.9029   -0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3469   -3.1663   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038    1.8860   -0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.6249    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  2  0
 31 32  1  0
  6 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 32  7  1  0
 31 11  1  0
 29 19  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  8 41  1  0
 13 42  1  0
 14 43  1  0
 16 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 33 54  1  0
 35 55  1  0
M  END

  Mrv0541 05061310382D          

 35 38  0  0  0  0            999 V2000
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    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   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  2  0  0  0  0
 31 21  1  0  0  0  0
 32  1  1  0  0  0  0
 32 12  1  0  0  0  0
 33 13  1  0  0  0  0
 33 19  1  0  0  0  0
 34 18  1  0  0  0  0
 34 22  1  0  0  0  0
 35 20  1  0  0  0  0
 35 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038772

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)

> <INCHI_KEY>
CUIJPIJRAYLBAL-UHFFFAOYSA-N

> <FORMULA>
C22H20O13

> <MOLECULAR_WEIGHT>
492.3864

> <EXACT_MASS>
492.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
45.33535603722788

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
0.2976589910000007

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.019851517359185

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5746456673858185

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868292024130502

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999996

> <JCHEM_REFRACTIVITY>
113.36979999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038772
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    3.4057    2.5830    4.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    2.5945    3.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    2.2373    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    1.8770    2.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    1.5226    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.5165   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.1312   -1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    1.1002   -2.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236    0.7392   -3.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165    0.7337   -4.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.3968   -3.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    0.0231   -4.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.0329   -6.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -0.3096   -4.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2538   -3.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248   -0.5818   -3.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871    0.1146   -2.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.1609   -1.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -0.9284   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.6514    0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411   -1.6576    1.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -1.6558    2.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -0.8331    2.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -2.5731    3.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.4616    2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148   -0.6517    3.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409   -0.7372    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2023   -0.8503    1.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -1.3442   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800   -2.7248   -0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.4538   -2.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    0.7986   -1.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    1.8737   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4321    2.2329    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    2.5949    1.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    1.5969    4.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    2.8672    5.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    3.3507    4.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    1.8871    3.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    1.2422    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.3679   -2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.1471   -6.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.6028   -5.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.8620   -4.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -1.8000   -0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -2.6627    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -2.3902    4.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5370   -2.4357    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647   -1.0013    4.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132    0.3333    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.1037    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -0.9029   -0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3469   -3.1663   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038    1.8860   -0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.6249    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  2  0
 31 32  1  0
  6 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 32  7  1  0
 31 11  1  0
 29 19  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  8 41  1  0
 13 42  1  0
 14 43  1  0
 16 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 33 54  1  0
 35 55  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2    3    7                                                       
CONECT    3    2   12                                                       
CONECT    4    7    8                                                       
CONECT    5    9   11                                                       
CONECT    6   10   13                                                       
CONECT    7    2    4   13                                                  
CONECT    8    4   12   23                                                  
CONECT    9    5   14   24                                                  
CONECT   10    6   14   25                                                  
CONECT   11    5   18   26                                                  
CONECT   12    3    8   32                                                  
CONECT   13    6    7   33                                                  
CONECT   14    9   10   19                                                  
CONECT   15   16   17   27                                                  
CONECT   16   15   20   28                                                  
CONECT   17   15   22   29                                                  
CONECT   18   11   19   34                                                  
CONECT   19   14   18   33                                                  
CONECT   20   16   21   35                                                  
CONECT   21   20   30   31                                                  
CONECT   22   17   34   35                                                  
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   11                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   21                                                            
CONECT   31   21                                                            
CONECT   32    1   12                                                       
CONECT   33   13   19                                                       
CONECT   34   18   22                                                       
CONECT   35   20   22                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0038772
HETATM    1  C1  UNL     1       3.406   2.583   4.691  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.228   2.594   3.547  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.670   2.237   2.326  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.343   1.877   2.216  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.796   1.523   0.995  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.556   1.516  -0.158  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.913   1.131  -1.415  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.599   1.100  -2.602  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.024   0.739  -3.820  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.716   0.734  -4.871  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.692   0.397  -3.818  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.024   0.023  -4.973  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.621  -0.033  -6.172  1.00  0.00           O  
HETATM   14  C11 UNL     1      -1.346  -0.310  -4.861  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.959  -0.254  -3.641  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.325  -0.582  -3.507  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.287   0.115  -2.522  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.935   0.161  -1.304  1.00  0.00           O  
HETATM   19  C14 UNL     1      -2.020  -0.928  -0.409  1.00  0.00           C  
HETATM   20  O6  UNL     1      -1.322  -0.651   0.781  1.00  0.00           O  
HETATM   21  C15 UNL     1      -1.641  -1.658   1.699  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.669  -1.656   2.814  1.00  0.00           C  
HETATM   23  O7  UNL     1       0.271  -0.833   2.844  1.00  0.00           O  
HETATM   24  O8  UNL     1      -0.797  -2.573   3.837  1.00  0.00           O  
HETATM   25  C17 UNL     1      -3.028  -1.462   2.273  1.00  0.00           C  
HETATM   26  O9  UNL     1      -3.015  -0.652   3.400  1.00  0.00           O  
HETATM   27  C18 UNL     1      -3.841  -0.737   1.216  1.00  0.00           C  
HETATM   28  O10 UNL     1      -5.202  -0.850   1.421  1.00  0.00           O  
HETATM   29  C19 UNL     1      -3.429  -1.344  -0.126  1.00  0.00           C  
HETATM   30  O11 UNL     1      -3.580  -2.725  -0.029  1.00  0.00           O  
HETATM   31  C20 UNL     1       0.068   0.454  -2.575  1.00  0.00           C  
HETATM   32  O12 UNL     1       0.653   0.799  -1.465  1.00  0.00           O  
HETATM   33  C21 UNL     1       3.873   1.874  -0.052  1.00  0.00           C  
HETATM   34  C22 UNL     1       4.432   2.233   1.179  1.00  0.00           C  
HETATM   35  O13 UNL     1       5.764   2.595   1.290  1.00  0.00           O  
HETATM   36  H1  UNL     1       2.913   1.597   4.833  1.00  0.00           H  
HETATM   37  H2  UNL     1       4.022   2.867   5.592  1.00  0.00           H  
HETATM   38  H3  UNL     1       2.591   3.351   4.628  1.00  0.00           H  
HETATM   39  H4  UNL     1       1.761   1.887   3.131  1.00  0.00           H  
HETATM   40  H5  UNL     1       0.754   1.242   0.924  1.00  0.00           H  
HETATM   41  H6  UNL     1       3.655   1.368  -2.625  1.00  0.00           H  
HETATM   42  H7  UNL     1       1.514   0.147  -6.457  1.00  0.00           H  
HETATM   43  H8  UNL     1      -1.879  -0.603  -5.753  1.00  0.00           H  
HETATM   44  H9  UNL     1      -3.870  -0.862  -4.306  1.00  0.00           H  
HETATM   45  H10 UNL     1      -1.480  -1.800  -0.865  1.00  0.00           H  
HETATM   46  H11 UNL     1      -1.612  -2.663   1.231  1.00  0.00           H  
HETATM   47  H12 UNL     1      -0.611  -2.390   4.807  1.00  0.00           H  
HETATM   48  H13 UNL     1      -3.537  -2.436   2.443  1.00  0.00           H  
HETATM   49  H14 UNL     1      -3.665  -1.001   4.073  1.00  0.00           H  
HETATM   50  H15 UNL     1      -3.513   0.333   1.234  1.00  0.00           H  
HETATM   51  H16 UNL     1      -5.703  -0.104   1.049  1.00  0.00           H  
HETATM   52  H17 UNL     1      -4.156  -0.903  -0.869  1.00  0.00           H  
HETATM   53  H18 UNL     1      -3.347  -3.166  -0.881  1.00  0.00           H  
HETATM   54  H19 UNL     1       4.504   1.886  -0.911  1.00  0.00           H  
HETATM   55  H20 UNL     1       6.408   2.625   0.514  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4    4   34
CONECT    4    5   39
CONECT    5    6    6   40
CONECT    6    7   33
CONECT    7    8    8   32
CONECT    8    9   41
CONECT    9   10   10   11
CONECT   11   12   12   31
CONECT   12   13   14
CONECT   13   42
CONECT   14   15   15   43
CONECT   15   16   17
CONECT   16   44
CONECT   17   18   31   31
CONECT   18   19
CONECT   19   20   29   45
CONECT   20   21
CONECT   21   22   25   46
CONECT   22   23   23   24
CONECT   24   47
CONECT   25   26   27   48
CONECT   26   49
CONECT   27   28   29   50
CONECT   28   51
CONECT   29   30   52
CONECT   30   53
CONECT   31   32
CONECT   33   34   34   54
CONECT   34   35
CONECT   35   55
END

HMDB0038772
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    3.4057    2.5830    4.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    2.5945    3.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    2.2373    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    1.8770    2.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    1.5226    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.5165   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.1312   -1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    1.1002   -2.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236    0.7392   -3.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165    0.7337   -4.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.3968   -3.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    0.0231   -4.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.0329   -6.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -0.3096   -4.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2538   -3.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248   -0.5818   -3.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871    0.1146   -2.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.1609   -1.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201   -0.9284   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.6514    0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411   -1.6576    1.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -1.6558    2.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -0.8331    2.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -2.5731    3.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.4616    2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148   -0.6517    3.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409   -0.7372    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2023   -0.8503    1.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -1.3442   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800   -2.7248   -0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.4538   -2.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    0.7986   -1.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    1.8737   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4321    2.2329    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    2.5949    1.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    1.5969    4.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    2.8672    5.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    3.3507    4.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    1.8871    3.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    1.2422    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.3679   -2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.1471   -6.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -0.6028   -5.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.8620   -4.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -1.8000   -0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -2.6627    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -2.3902    4.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5370   -2.4357    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647   -1.0013    4.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132    0.3333    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.1037    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -0.9029   -0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3469   -3.1663   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038    1.8860   -0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.6249    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  2  0
 31 32  1  0
  6 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 32  7  1  0
 31 11  1  0
 29 19  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  8 41  1  0
 13 42  1  0
 14 43  1  0
 16 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 33 54  1  0
 35 55  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₂H₂₀O₁₃

Average Molecular Weight

492.3864

Monoisotopic Molecular Weight

492.090390726

IUPAC Name

6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

135010-46-7

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O

InChI Identifier

InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)

InChI Key

CUIJPIJRAYLBAL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-8-O-glucuronides

Alternative Parents

Substituents

Flavonoid-8-o-glucuronide
Flavonoid-8-o-glycoside
4p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Methoxyphenol
Methoxybenzene
Anisole
Phenoxy compound
Phenol ether
Phenol
Pyranone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Beta-hydroxy acid
Monosaccharide
Oxane
Pyran
Hydroxy acid
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Carboxylic acid derivative
Carboxylic acid
Organic oxygen compound
Organic oxide
Alcohol
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12111385 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0038772)

Organ

Liver (HMDB: HMDB0038772)
Kidney (HMDB: HMDB0038772)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0038772)

Cellular substructure

Extracellular (HMDB: HMDB0038772)
Cytoplasm (HMDB: HMDB0038772)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038772)

Source

Endogenous

Endogenous (HMDB: HMDB0038772)

Plant

Plant (HMDB: HMDB0038772)

Exogenous

Food

Food (HMDB: HMDB0038772)

Tea

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Exogenous (HMDB: HMDB0038772)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0038772)

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	1.73 g/L	ALOGPS
logP	1.4	ALOGPS
logP	0.3	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	2.57	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	113.37 m³·mol⁻¹	ChemAxon
Polarizability	45.34 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	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	210.002	31661259
DarkChem	[M-H]-	211.927	31661259
DeepCCS	[M+H]+	202.818	30932474
DeepCCS	[M-H]-	200.422	30932474
DeepCCS	[M-2H]-	233.307	30932474
DeepCCS	[M+Na]+	208.731	30932474
AllCCS	[M+H]+	210.5	32859911
AllCCS	[M+H-H2O]+	208.4	32859911
AllCCS	[M+NH4]+	212.5	32859911
AllCCS	[M+Na]+	213.0	32859911
AllCCS	[M-H]-	207.6	32859911
AllCCS	[M+Na-2H]-	208.3	32859911
AllCCS	[M+HCOO]-	209.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O	6135.4	Standard polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O	4403.0	Standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(C(O)C(O)C1O)C(O)=O)=C(O)C=C2O	4664.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4627.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4623.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4640.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4646.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4594.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4669.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4656.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4429.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4445.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4461.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4462.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4459.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4447.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4466.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4466.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4488.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4458.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4456.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4464.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4461.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4464.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4421.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4427.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4419.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4451.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4437.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4470.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4451.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4271.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4289.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4252.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4298.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4279.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4301.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4309.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4254.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4312.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4280.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4286.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4251.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4305.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4302.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4318.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4312.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4337.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4334.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4273.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4322.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4300.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4275.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4238.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4328.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4326.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4288.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4311.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4310.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4276.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4248.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4271.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4276.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4299.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4281.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4327.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4152.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4193.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4212.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4176.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4222.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4207.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4233.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4238.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4210.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4241.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4216.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4179.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4226.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4193.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4178.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4182.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4217.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4251.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4208.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4219.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4260.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4238.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4187.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4262.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4192.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4197.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4217.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4222.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4194.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4210.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4184.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4197.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4185.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4175.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,4TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4185.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4141.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4152.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4172.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4217.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4169.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4189.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4203.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4145.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4183.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4156.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4173.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4127.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4200.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4132.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4132.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4143.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4157.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4151.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4156.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4197.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,5TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4148.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4866.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4932.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4958.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4955.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4916.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4914.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,1TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4926.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4891.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4959.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4982.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5011.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4943.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4966.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5002.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4972.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4947.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4956.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4957.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4883.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4925.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	4928.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4881.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4872.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4895.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4901.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4948.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4920.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4955.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4956.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4940.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4957.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4949.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4927.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4937.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4962.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4972.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5035.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5040.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5028.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4975.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4980.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4961.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4977.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5009.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5033.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5014.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5026.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5082.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5060.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4991.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4928.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4996.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5017.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4997.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5030.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4990.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5005.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4986.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4954.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4952.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4932.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4946.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4965.5	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 - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-05di-9106600000-ce4cc9ddf1bc2b36c771	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide GC-MS (2 TMS) - 70eV, Positive	splash10-05fr-9200157000-db5025ee7587d8de0e98	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide GC-MS (TBDMS_3_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide GC-MS ("8-Hydroxyluteolin 4'-methyl ether 8-glucuronide,3TBDMS,#30" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 10V, Positive-QTOF	splash10-016u-0107900000-538a106f4c1a2fa46ccf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 20V, Positive-QTOF	splash10-014i-0139100000-5ad5a6283f6730480df2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 40V, Positive-QTOF	splash10-0gic-1956000000-4c20047dea9cdec6c864	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 10V, Negative-QTOF	splash10-00kf-0104900000-d483c59ff2d068f06811	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 20V, Negative-QTOF	splash10-014j-2169500000-08c279f90b2445460f13	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 40V, Negative-QTOF	splash10-014j-3294000000-ebd2365b672929cff434	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 10V, Negative-QTOF	splash10-0006-0000900000-7eeb8f63c9d58add9977	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 20V, Negative-QTOF	splash10-004i-0000900000-f8aaac4eb7b86965ab3f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 40V, Negative-QTOF	splash10-0006-0201900000-f9805587cbe0cc30a337	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 10V, Positive-QTOF	splash10-0006-0000900000-6f8ba574b6039428c11a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 20V, Positive-QTOF	splash10-0006-0000900000-4d712fc24306e19fbdd6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide 40V, Positive-QTOF	splash10-0udi-0001900000-117ac655ac65a7f0d32a	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	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

FDB018190

KNApSAcK ID

C00004434

Chemspider ID

24844245

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14887606

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide (HMDB0038772)

MOL for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

3D MOL for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

3D SDF for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

3D-SDF for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

PDB for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

3D PDB for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

SMILES for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

INCHI for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

Structure for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

3D Structure for HMDB0038772 (8-Hydroxyluteolin 4'-methyl ether 8-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra