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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:34:10 UTC

Update Date

2022-03-07 02:55:17 UTC

HMDB ID

HMDB0037332

Secondary Accession Numbers

HMDB37332

Metabolite Identification

Common Name

8-Hydroxyluteolin 4'-methyl ether 8-glucoside

Description

8-Hydroxyluteolin 4'-methyl ether 8-glucoside belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position. 8-Hydroxyluteolin 4'-methyl ether 8-glucoside has been detected, but not quantified in, several different foods, such as black tea, herbs and spices, herbal tea, green tea, and teas (Camellia sinensis). This could make 8-hydroxyluteolin 4'-methyl ether 8-glucoside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 8-Hydroxyluteolin 4'-methyl ether 8-glucoside.

Structure

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


  Mrv0541 05061309432D          

 34 37  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
   -0.7145   -1.2375    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
    0.0000   -1.6500    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
    0.0000   -2.4750    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
    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
    1.4289   -1.6500    0.0000 C   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
    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   -2.8875    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
    2.1434   -2.8875    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
    0.7145   -1.2375    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
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  2  0  0  0  0
 21 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  2  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31  1  1  0  0  0  0
 31 13  1  0  0  0  0
 32 14  1  0  0  0  0
 32 21  1  0  0  0  0
 33 15  1  0  0  0  0
 33 22  1  0  0  0  0
 34 20  1  0  0  0  0
 34 22  1  0  0  0  0
M  END

HMDB0037332
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.6521    1.1142   -4.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.6481   -3.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    0.5161   -2.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.8158   -2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    0.6653   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    0.2083    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    0.0611    1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -0.3464    2.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -0.4795    3.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6372   -0.8439    4.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -0.1858    3.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -0.2950    4.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918   -0.7059    5.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.0025    4.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    0.4020    3.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    0.6922    3.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.5146    2.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    0.9091    1.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470    0.0710    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688    0.4085    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3190   -0.1079   -0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6955   -1.5580   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4353   -1.7220    0.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790    0.1804   -2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4496    1.5551   -2.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -0.5074   -2.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472   -0.2499   -3.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -0.0229   -1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -1.0199   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089    0.2230    2.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    0.3165    1.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -0.0876    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.0571   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767   -0.2508   -1.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    2.1985   -4.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    0.9665   -5.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081    0.5238   -4.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    1.1727   -3.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.9079   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -0.5767    2.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -0.8181    6.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411   -0.1071    5.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082    0.6230    4.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.9592    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2960    0.4592   -0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -1.8446   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155   -2.2299   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8508   -0.8773    0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -0.1337   -3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0999    2.0550   -1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.6123   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205    0.5686   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366    0.8921   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -1.1476   -1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -0.4485    0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9308   -0.5853   -0.3884 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  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 28 19  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 34 56  1  0
M  END


  Mrv0541 05061309432D          

 34 37  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
   -0.7145   -1.2375    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
    0.0000   -1.6500    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
    0.0000   -2.4750    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
    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
    1.4289   -1.6500    0.0000 C   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
    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   -2.8875    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
    2.1434   -2.8875    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
    0.7145   -1.2375    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
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  2  0  0  0  0
 21 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  2  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31  1  1  0  0  0  0
 31 13  1  0  0  0  0
 32 14  1  0  0  0  0
 32 21  1  0  0  0  0
 33 15  1  0  0  0  0
 33 22  1  0  0  0  0
 34 20  1  0  0  0  0
 34 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037332

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O12/c1-31-13-3-2-8(4-9(13)24)14-6-11(26)16-10(25)5-12(27)20(21(16)32-14)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3

> <INCHI_KEY>
JNHIUGKYXOYDMR-UHFFFAOYSA-N

> <FORMULA>
C22H22O12

> <MOLECULAR_WEIGHT>
478.4029

> <EXACT_MASS>
478.111126168

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.78845302628696

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.64

> <JCHEM_LOGP>
-0.02261554700000007

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.332420436476166

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.019767660698493

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092366220124

> <JCHEM_POLAR_SURFACE_AREA>
195.59999999999994

> <JCHEM_REFRACTIVITY>
113.50239999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.24e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037332
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.6521    1.1142   -4.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.6481   -3.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    0.5161   -2.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.8158   -2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    0.6653   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    0.2083    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    0.0611    1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -0.3464    2.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -0.4795    3.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6372   -0.8439    4.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -0.1858    3.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -0.2950    4.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918   -0.7059    5.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.0025    4.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    0.4020    3.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    0.6922    3.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.5146    2.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    0.9091    1.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470    0.0710    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688    0.4085    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3190   -0.1079   -0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6955   -1.5580   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4353   -1.7220    0.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790    0.1804   -2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4496    1.5551   -2.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -0.5074   -2.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472   -0.2499   -3.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -0.0229   -1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -1.0199   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089    0.2230    2.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    0.3165    1.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -0.0876    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.0571   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767   -0.2508   -1.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    2.1985   -4.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    0.9665   -5.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081    0.5238   -4.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    1.1727   -3.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.9079   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -0.5767    2.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -0.8181    6.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411   -0.1071    5.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082    0.6230    4.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.9592    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2960    0.4592   -0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -1.8446   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155   -2.2299   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8508   -0.8773    0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -0.1337   -3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0999    2.0550   -1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.6123   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205    0.5686   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366    0.8921   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -1.1476   -1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -0.4485    0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9308   -0.5853   -0.3884 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  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 28 19  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 34 56  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335   0.000   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      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  -0.770   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       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.334  -2.310   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
CONECT    1   31                                                            
CONECT    2    3    8                                                       
CONECT    3    2   13                                                       
CONECT    4    8    9                                                       
CONECT    5   10   12                                                       
CONECT    6   11   14                                                       
CONECT    7   15   23                                                       
CONECT    8    2    4   14                                                  
CONECT    9    4   13   24                                                  
CONECT   10    5   16   25                                                  
CONECT   11    6   16   26                                                  
CONECT   12    5   20   27                                                  
CONECT   13    3    9   31                                                  
CONECT   14    6    8   32                                                  
CONECT   15    7   17   33                                                  
CONECT   16   10   11   21                                                  
CONECT   17   15   18   28                                                  
CONECT   18   17   19   29                                                  
CONECT   19   18   22   30                                                  
CONECT   20   12   21   34                                                  
CONECT   21   16   20   32                                                  
CONECT   22   19   33   34                                                  
CONECT   23    7                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   11                                                            
CONECT   27   12                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31    1   13                                                       
CONECT   32   14   21                                                       
CONECT   33   15   22                                                       
CONECT   34   20   22                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

COMPND    HMDB0037332
HETATM    1  C1  UNL     1       4.652   1.114  -4.672  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.229   0.648  -3.455  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.496   0.516  -2.299  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.154   0.816  -2.205  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.464   0.665  -1.019  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.088   0.208   0.122  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.293   0.061   1.357  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.896  -0.346   2.528  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.141  -0.479   3.685  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.637  -0.844   4.768  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.794  -0.186   3.582  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.012  -0.295   4.699  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.592  -0.706   5.888  1.00  0.00           O  
HETATM   14  C11 UNL     1      -1.349  -0.003   4.604  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.933   0.402   3.423  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.308   0.692   3.368  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.138   0.515   2.302  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.664   0.909   1.111  1.00  0.00           O  
HETATM   19  C14 UNL     1      -2.247   0.071   0.135  1.00  0.00           C  
HETATM   20  O6  UNL     1      -3.569   0.408   0.076  1.00  0.00           O  
HETATM   21  C15 UNL     1      -4.319  -0.108  -0.933  1.00  0.00           C  
HETATM   22  C16 UNL     1      -4.696  -1.558  -0.765  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.435  -1.722   0.397  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.679   0.180  -2.266  1.00  0.00           C  
HETATM   25  O8  UNL     1      -3.450   1.555  -2.326  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.352  -0.507  -2.273  1.00  0.00           C  
HETATM   27  O9  UNL     1      -1.747  -0.250  -3.502  1.00  0.00           O  
HETATM   28  C19 UNL     1      -1.504  -0.023  -1.145  1.00  0.00           C  
HETATM   29  O10 UNL     1      -0.505  -1.020  -0.979  1.00  0.00           O  
HETATM   30  C20 UNL     1       0.209   0.223   2.389  1.00  0.00           C  
HETATM   31  O11 UNL     1       1.009   0.316   1.357  1.00  0.00           O  
HETATM   32  C21 UNL     1       4.417  -0.088   0.025  1.00  0.00           C  
HETATM   33  C22 UNL     1       5.134   0.057  -1.163  1.00  0.00           C  
HETATM   34  O12 UNL     1       6.477  -0.251  -1.227  1.00  0.00           O  
HETATM   35  H1  UNL     1       4.443   2.199  -4.602  1.00  0.00           H  
HETATM   36  H2  UNL     1       5.357   0.966  -5.514  1.00  0.00           H  
HETATM   37  H3  UNL     1       3.708   0.524  -4.826  1.00  0.00           H  
HETATM   38  H4  UNL     1       2.660   1.173  -3.091  1.00  0.00           H  
HETATM   39  H5  UNL     1       1.414   0.908  -0.952  1.00  0.00           H  
HETATM   40  H6  UNL     1       3.971  -0.577   2.594  1.00  0.00           H  
HETATM   41  H7  UNL     1       0.101  -0.818   6.754  1.00  0.00           H  
HETATM   42  H8  UNL     1      -1.941  -0.107   5.525  1.00  0.00           H  
HETATM   43  H9  UNL     1      -3.908   0.623   4.151  1.00  0.00           H  
HETATM   44  H10 UNL     1      -2.214  -0.959   0.609  1.00  0.00           H  
HETATM   45  H11 UNL     1      -5.296   0.459  -0.933  1.00  0.00           H  
HETATM   46  H12 UNL     1      -5.326  -1.845  -1.623  1.00  0.00           H  
HETATM   47  H13 UNL     1      -3.816  -2.230  -0.740  1.00  0.00           H  
HETATM   48  H14 UNL     1      -5.851  -0.877   0.716  1.00  0.00           H  
HETATM   49  H15 UNL     1      -4.336  -0.134  -3.099  1.00  0.00           H  
HETATM   50  H16 UNL     1      -4.100   2.055  -1.751  1.00  0.00           H  
HETATM   51  H17 UNL     1      -2.490  -1.612  -2.157  1.00  0.00           H  
HETATM   52  H18 UNL     1      -2.120   0.569  -3.935  1.00  0.00           H  
HETATM   53  H19 UNL     1      -0.937   0.892  -1.411  1.00  0.00           H  
HETATM   54  H20 UNL     1       0.016  -1.148  -1.799  1.00  0.00           H  
HETATM   55  H21 UNL     1       4.955  -0.449   0.883  1.00  0.00           H  
HETATM   56  H22 UNL     1       6.931  -0.585  -0.388  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3
CONECT    3    4    4   33
CONECT    4    5   38
CONECT    5    6    6   39
CONECT    6    7   32
CONECT    7    8    8   31
CONECT    8    9   40
CONECT    9   10   10   11
CONECT   11   12   12   30
CONECT   12   13   14
CONECT   13   41
CONECT   14   15   15   42
CONECT   15   16   17
CONECT   16   43
CONECT   17   18   30   30
CONECT   18   19
CONECT   19   20   28   44
CONECT   20   21
CONECT   21   22   24   45
CONECT   22   23   46   47
CONECT   23   48
CONECT   24   25   26   49
CONECT   25   50
CONECT   26   27   28   51
CONECT   27   52
CONECT   28   29   53
CONECT   29   54
CONECT   30   31
CONECT   32   33   33   55
CONECT   33   34
CONECT   34   56
END

HMDB0037332
     RDKit          3D
8-Hydroxyluteolin 4'-methyl ether 8-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
    4.6521    1.1142   -4.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.6481   -3.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    0.5161   -2.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.8158   -2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    0.6653   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    0.2083    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    0.0611    1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -0.3464    2.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -0.4795    3.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6372   -0.8439    4.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -0.1858    3.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -0.2950    4.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918   -0.7059    5.8877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.0025    4.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    0.4020    3.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    0.6922    3.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.5146    2.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    0.9091    1.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470    0.0710    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688    0.4085    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3190   -0.1079   -0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6955   -1.5580   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4353   -1.7220    0.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6790    0.1804   -2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4496    1.5551   -2.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -0.5074   -2.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472   -0.2499   -3.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -0.0229   -1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -1.0199   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089    0.2230    2.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    0.3165    1.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -0.0876    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.0571   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767   -0.2508   -1.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    2.1985   -4.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    0.9665   -5.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081    0.5238   -4.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    1.1727   -3.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.9079   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -0.5767    2.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -0.8181    6.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411   -0.1071    5.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082    0.6230    4.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.9592    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2960    0.4592   -0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256   -1.8446   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8155   -2.2299   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8508   -0.8773    0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -0.1337   -3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0999    2.0550   -1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.6123   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205    0.5686   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366    0.8921   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -1.1476   -1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9549   -0.4485    0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9308   -0.5853   -0.3884 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  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 28 19  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 34 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₂H₂₂O₁₂

Average Molecular Weight

478.4029

Monoisotopic Molecular Weight

478.111126168

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

CAS Registry Number

80756-87-2

SMILES

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

InChI Identifier

InChI=1S/C22H22O12/c1-31-13-3-2-8(4-9(13)24)14-6-11(26)16-10(25)5-12(27)20(21(16)32-14)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3

InChI Key

JNHIUGKYXOYDMR-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-8-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037332)
Cytoplasm (HMDB: HMDB0037332)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037332)

Source

Exogenous

Food

Food (HMDB: HMDB0037332)

Tea

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Root vegetable

Root vegetables (FooDB: FOOD00873)

Endogenous

Plant

Plant (HMDB: HMDB0037332)

Not Available

Nutrient (HMDB: HMDB0037332)

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	1.24 g/L	ALOGPS
logP	0.64	ALOGPS
logP	-0.023	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.02	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	195.6 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	113.5 m³·mol⁻¹	ChemAxon
Polarizability	45.79 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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]+	211.832	31661259
DarkChem	[M-H]-	208.453	31661259
DeepCCS	[M+H]+	204.422	30932474
DeepCCS	[M-H]-	202.026	30932474
DeepCCS	[M-2H]-	234.91	30932474
DeepCCS	[M+Na]+	210.334	30932474
AllCCS	[M+H]+	209.1	32859911
AllCCS	[M+H-H2O]+	206.9	32859911
AllCCS	[M+NH4]+	211.2	32859911
AllCCS	[M+Na]+	211.7	32859911
AllCCS	[M-H]-	206.1	32859911
AllCCS	[M+Na-2H]-	206.8	32859911
AllCCS	[M+HCOO]-	207.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxyluteolin 4'-methyl ether 8-glucoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	5870.4	Standard polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	4471.4	Standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	4610.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4570.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4599.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4578.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4584.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4593.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	4623.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	4621.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4399.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4415.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4420.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4431.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4425.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4400.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4405.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4444.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4414.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4414.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4427.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4428.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4438.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O)=C3O2)C=C1O	4444.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4392.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4382.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4364.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4395.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4440.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4437.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4415.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4240.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4234.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4199.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4242.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4217.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4227.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4238.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4225.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4243.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4247.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4238.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4197.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4255.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4225.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4255.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4252.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4305.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4260.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4241.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4228.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4232.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4242.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4215.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4246.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4257.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4244.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4238.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4256.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4226.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4218.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4200.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4238.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4259.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4224.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4268.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4085.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4113.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4144.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4113.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4161.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4142.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4155.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4154.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4136.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4175.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4143.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4132.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4147.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	4119.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4127.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4121.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4135.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4174.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4135.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4141.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4195.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4145.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4114.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4199.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4131.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4122.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4133.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4156.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4131.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4120.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4108.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4127.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4108.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4114.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,4TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4114.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	4061.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4055.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4098.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4138.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4101.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4107.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4133.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	4075.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	4095.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4068.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4105.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4063.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4133.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	4060.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4061.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4057.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4070.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4054.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	4078.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4103.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,5TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	4074.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4822.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4886.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4883.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4891.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4888.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	4875.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,1TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	4878.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4873.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4927.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4911.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4950.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4902.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4906.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4928.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4968.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4898.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4939.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4934.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4867.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4898.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O)=C3O2)C=C1O	4918.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4847.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4854.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4848.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4849.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4911.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4893.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4912.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4946.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4880.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4897.7	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4889.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)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	4895.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)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	4898.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)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	4909.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	4959.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4974.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5010.4	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4964.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4921.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4925.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4933.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4932.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4952.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4970.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO[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	4947.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	4980.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5000.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4997.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4926.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4940.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4937.1	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(OC4OC(CO)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	4959.0	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	4982.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5007.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4946.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,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(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	4961.2	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4939.8	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4915.3	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4909.6	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4921.9	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4898.5	Semi standard non polar	33892256
8-Hydroxyluteolin 4'-methyl ether 8-glucoside,3TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4921.6	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 - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-08mi-9303600000-81b18b4b56babe818547	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-056r-5300009000-163f4151c00e3f3018fd	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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-glucoside 10V, Positive-QTOF	splash10-016r-0108900000-604fc99bdd609a18c1df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 20V, Positive-QTOF	splash10-014i-0139100000-79e69169b064b30d0c09	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 40V, Positive-QTOF	splash10-0fr6-3968000000-fefbf6481409d50ab057	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 10V, Negative-QTOF	splash10-00or-1105900000-6b1f34baf6e2b1cd4eac	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 20V, Negative-QTOF	splash10-014i-2169400000-9112db9931a1b2e39800	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 40V, Negative-QTOF	splash10-00kb-3193000000-6f92dafa77dca91a2f81	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 10V, Positive-QTOF	splash10-004i-0000900000-1400d8d6ba2d175a45ae	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 20V, Positive-QTOF	splash10-004i-0000900000-103655d76174aa668eee	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 40V, Positive-QTOF	splash10-000i-0001900000-b3ab4bf4804a7e1e7d75	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 10V, Negative-QTOF	splash10-004i-0000900000-ae4005646933cdc29490	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 20V, Negative-QTOF	splash10-03di-0000900000-5b50e7a7e73d04556750	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxyluteolin 4'-methyl ether 8-glucoside 40V, Negative-QTOF	splash10-004i-0201900000-c3a5f17f4da836c484e2	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

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

FDB016354

KNApSAcK ID

C00004433

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

74977928

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-glucoside (HMDB0037332)

MOL for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

3D MOL for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

3D SDF for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

3D-SDF for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

PDB for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

3D PDB for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

SMILES for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

INCHI for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

Structure for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

3D Structure for HMDB0037332 (8-Hydroxyluteolin 4'-methyl ether 8-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra