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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2019-10-11 15:57:03 UTC

Update Date

2022-03-07 03:18:18 UTC

HMDB ID

HMDB0240540

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Luteolin 3'-glucuronide

Description

Luteolin 3'-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Thus, luteolin 3'-glucuronide is considered to be a flavonoid. Luteolin 3'-glucuronide is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on Luteolin 3'-glucuronide.

Structure

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

  Mrv1652310111917572D          

 38 41  0  0  1  0            999 V2000
    5.0013   -1.2375    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
    5.7158   -0.0000    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
    2.1434   -0.4125    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
    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
    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
    4.2868    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
    2.8579    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
    7.8592    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  2  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
    7.1447   -1.6500    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
    8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    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
    7.1447   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  1  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  2  0  0  0  0
 16 26  1  6  0  0  0
 17 27  1  1  0  0  0
 18 28  1  1  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 12  1  0  0  0  0
 31 14  1  0  0  0  0
 32 13  1  0  0  0  0
 21 32  1  6  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 16 34  1  1  0  0  0
 17 35  1  6  0  0  0
 18 36  1  6  0  0  0
 19 37  1  1  0  0  0
 21 38  1  1  0  0  0
M  END

HMDB0240540
     RDKit          3D
Luteolin 3'-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
    4.8902   -2.1633   -0.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192   -1.1231   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017   -1.1891   -0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0955   -1.1530 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4865   -0.0064   -1.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    0.0180   -0.0347 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2164   -1.2484    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -1.6217    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748   -0.7856    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -1.2123    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -0.2957   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754    1.0512   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    1.8679   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4940    3.0953   -0.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8570    1.3244   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0008    2.0855   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8614    3.4516   -0.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2628    1.5245   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3428    0.1674   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6181   -0.4147   -0.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -0.5900   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9283   -0.0331   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8524   -0.7619   -0.0985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854   -2.5550    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -3.4510    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499   -2.9791    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -3.8584    0.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    0.4632    1.1743 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6605    0.9772    2.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5729    1.5086    0.9021 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5531    1.4525    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    1.3467   -0.4231 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9615    2.4336   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868   -2.0601   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2008    0.2250   -2.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.7406   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.2471   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    1.5053   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6184    4.0788   -1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1464    2.1291   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6832   -1.4062   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2615   -1.6552   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028   -2.9083    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -4.5062    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -3.4994    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -0.4260    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.6293    1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168    2.5215    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    0.5479    2.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    1.3069   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    2.9555   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 23 11  1  0
 22 15  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 12 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 21 42  1  0
 24 43  1  0
 25 44  1  0
 27 45  1  0
 28 46  1  1
 29 47  1  0
 30 48  1  6
 31 49  1  0
 32 50  1  1
 33 51  1  0
M  END

  Mrv1652310111917572D          

 38 41  0  0  1  0            999 V2000
    5.0013   -1.2375    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
    5.7158   -0.0000    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
    2.1434   -0.4125    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
    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
    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
    4.2868    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
    2.8579    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
    7.8592    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  2  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
    7.1447   -1.6500    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
    8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    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
    7.1447   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 20  1  1  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  2  0  0  0  0
 16 26  1  6  0  0  0
 17 27  1  1  0  0  0
 18 28  1  1  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 12  1  0  0  0  0
 31 14  1  0  0  0  0
 32 13  1  0  0  0  0
 21 32  1  6  0  0  0
 33 19  1  0  0  0  0
 33 21  1  0  0  0  0
 16 34  1  1  0  0  0
 17 35  1  6  0  0  0
 18 36  1  6  0  0  0
 19 37  1  1  0  0  0
 21 38  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0240540

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

> <INCHI_KEY>
JDOFZOKGCYYUER-ZFORQUDYSA-N

> <FORMULA>
C21H18O12

> <MOLECULAR_WEIGHT>
462.363

> <EXACT_MASS>
462.07982602

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
43.13875076162755

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
0.4553302566666667

> <ALOGPS_LOGS>
-2.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.576376193671885

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.960277024101365

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686827977168856

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999994

> <JCHEM_REFRACTIVITY>
106.90659999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0240540
     RDKit          3D
Luteolin 3'-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
    4.8902   -2.1633   -0.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192   -1.1231   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017   -1.1891   -0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0955   -1.1530 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4865   -0.0064   -1.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    0.0180   -0.0347 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2164   -1.2484    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -1.6217    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748   -0.7856    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -1.2123    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -0.2957   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754    1.0512   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    1.8679   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4940    3.0953   -0.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8570    1.3244   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0008    2.0855   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8614    3.4516   -0.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2628    1.5245   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3428    0.1674   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6181   -0.4147   -0.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -0.5900   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9283   -0.0331   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8524   -0.7619   -0.0985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854   -2.5550    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -3.4510    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499   -2.9791    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -3.8584    0.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    0.4632    1.1743 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6605    0.9772    2.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5729    1.5086    0.9021 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5531    1.4525    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    1.3467   -0.4231 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9615    2.4336   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868   -2.0601   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2008    0.2250   -2.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.7406   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.2471   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    1.5053   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6184    4.0788   -1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1464    2.1291   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6832   -1.4062   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2615   -1.6552   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028   -2.9083    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -4.5062    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -3.4994    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -0.4260    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.6293    1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168    2.5215    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    0.5479    2.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    1.3069   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    2.9555   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 23 11  1  0
 22 15  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 12 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 21 42  1  0
 24 43  1  0
 25 44  1  0
 27 45  1  0
 28 46  1  1
 29 47  1  0
 30 48  1  6
 31 49  1  0
 32 50  1  1
 33 51  1  0
M  END

HEADER    PROTEIN                                 11-OCT-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-OCT-19         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   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       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003  -2.310   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       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.337  -3.080   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      16.004   4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      13.337   6.160   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      16.004   1.540   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0      14.670   5.390   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      12.003   5.390   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      14.670   0.770   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      13.337   3.080   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      12.003   0.770   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   13                                                       
CONECT    4    8   10                                                       
CONECT    5    8   14                                                       
CONECT    6   11   12                                                       
CONECT    7    1    3   12                                                  
CONECT    8    4    5   22                                                  
CONECT    9    2   13   23                                                  
CONECT   10    4   15   24                                                  
CONECT   11    6   15   25                                                  
CONECT   12    6    7   31                                                  
CONECT   13    3    9   32                                                  
CONECT   14    5   15   31                                                  
CONECT   15   10   11   14                                                  
CONECT   16   17   18   26   34                                             
CONECT   17   16   19   27   35                                             
CONECT   18   16   21   28   36                                             
CONECT   19   17   20   33   37                                             
CONECT   20   19   29   30                                                  
CONECT   21   18   32   33   38                                             
CONECT   22    8                                                            
CONECT   23    9                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   20                                                            
CONECT   30   20                                                            
CONECT   31   12   14                                                       
CONECT   32   13   21                                                       
CONECT   33   19   21                                                       
CONECT   34   16                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   21                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0240540
HETATM    1  O1  UNL     1       4.890  -2.163  -0.289  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.519  -1.123  -0.642  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.902  -1.189  -0.522  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.835   0.096  -1.153  1.00  0.00           C  
HETATM    5  O3  UNL     1       3.487  -0.006  -1.205  1.00  0.00           O  
HETATM    6  C3  UNL     1       2.778   0.018  -0.035  1.00  0.00           C  
HETATM    7  O4  UNL     1       2.216  -1.248   0.166  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.913  -1.622   0.191  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.175  -0.786   0.015  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.480  -1.212   0.049  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.627  -0.296  -0.142  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.475   1.051  -0.369  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.593   1.868  -0.542  1.00  0.00           C  
HETATM   14  O5  UNL     1      -3.494   3.095  -0.750  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.857   1.324  -0.487  1.00  0.00           C  
HETATM   16  C11 UNL     1      -6.001   2.085  -0.651  1.00  0.00           C  
HETATM   17  O6  UNL     1      -5.861   3.452  -0.882  1.00  0.00           O  
HETATM   18  C12 UNL     1      -7.263   1.524  -0.593  1.00  0.00           C  
HETATM   19  C13 UNL     1      -7.343   0.167  -0.362  1.00  0.00           C  
HETATM   20  O7  UNL     1      -8.618  -0.415  -0.300  1.00  0.00           O  
HETATM   21  C14 UNL     1      -6.203  -0.590  -0.198  1.00  0.00           C  
HETATM   22  C15 UNL     1      -4.928  -0.033  -0.256  1.00  0.00           C  
HETATM   23  O8  UNL     1      -3.852  -0.762  -0.099  1.00  0.00           O  
HETATM   24  C16 UNL     1      -1.685  -2.555   0.274  1.00  0.00           C  
HETATM   25  C17 UNL     1      -0.661  -3.451   0.458  1.00  0.00           C  
HETATM   26  C18 UNL     1       0.650  -2.979   0.416  1.00  0.00           C  
HETATM   27  O9  UNL     1       1.705  -3.858   0.598  1.00  0.00           O  
HETATM   28  C19 UNL     1       3.535   0.463   1.174  1.00  0.00           C  
HETATM   29  O10 UNL     1       2.661   0.977   2.146  1.00  0.00           O  
HETATM   30  C20 UNL     1       4.573   1.509   0.902  1.00  0.00           C  
HETATM   31  O11 UNL     1       5.553   1.453   1.894  1.00  0.00           O  
HETATM   32  C21 UNL     1       5.258   1.347  -0.423  1.00  0.00           C  
HETATM   33  O12 UNL     1       4.962   2.434  -1.246  1.00  0.00           O  
HETATM   34  H1  UNL     1       7.387  -2.060  -0.698  1.00  0.00           H  
HETATM   35  H2  UNL     1       5.201   0.225  -2.206  1.00  0.00           H  
HETATM   36  H3  UNL     1       1.952   0.741  -0.182  1.00  0.00           H  
HETATM   37  H4  UNL     1       0.031   0.247  -0.156  1.00  0.00           H  
HETATM   38  H5  UNL     1      -1.497   1.505  -0.418  1.00  0.00           H  
HETATM   39  H6  UNL     1      -6.618   4.079  -1.012  1.00  0.00           H  
HETATM   40  H7  UNL     1      -8.146   2.129  -0.723  1.00  0.00           H  
HETATM   41  H8  UNL     1      -8.683  -1.406  -0.131  1.00  0.00           H  
HETATM   42  H9  UNL     1      -6.261  -1.655  -0.017  1.00  0.00           H  
HETATM   43  H10 UNL     1      -2.703  -2.908   0.304  1.00  0.00           H  
HETATM   44  H11 UNL     1      -0.819  -4.506   0.634  1.00  0.00           H  
HETATM   45  H12 UNL     1       2.645  -3.499   0.565  1.00  0.00           H  
HETATM   46  H13 UNL     1       4.002  -0.426   1.648  1.00  0.00           H  
HETATM   47  H14 UNL     1       2.086   1.629   1.696  1.00  0.00           H  
HETATM   48  H15 UNL     1       4.117   2.522   0.967  1.00  0.00           H  
HETATM   49  H16 UNL     1       5.858   0.548   2.070  1.00  0.00           H  
HETATM   50  H17 UNL     1       6.368   1.307  -0.338  1.00  0.00           H  
HETATM   51  H18 UNL     1       5.763   2.955  -1.499  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   34
CONECT    4    5   32   35
CONECT    5    6
CONECT    6    7   28   36
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   37
CONECT   10   11   24   24
CONECT   11   12   12   23
CONECT   12   13   38
CONECT   13   14   14   15
CONECT   15   16   16   22
CONECT   16   17   18
CONECT   17   39
CONECT   18   19   19   40
CONECT   19   20   21
CONECT   20   41
CONECT   21   22   22   42
CONECT   22   23
CONECT   24   25   43
CONECT   25   26   26   44
CONECT   26   27
CONECT   27   45
CONECT   28   29   30   46
CONECT   29   47
CONECT   30   31   32   48
CONECT   31   49
CONECT   32   33   50
CONECT   33   51
END

HMDB0240540
     RDKit          3D
Luteolin 3'-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
    4.8902   -2.1633   -0.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192   -1.1231   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017   -1.1891   -0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0955   -1.1530 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4865   -0.0064   -1.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    0.0180   -0.0347 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2164   -1.2484    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -1.6217    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748   -0.7856    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -1.2123    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -0.2957   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754    1.0512   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    1.8679   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4940    3.0953   -0.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8570    1.3244   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0008    2.0855   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8614    3.4516   -0.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2628    1.5245   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3428    0.1674   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6181   -0.4147   -0.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -0.5900   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9283   -0.0331   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8524   -0.7619   -0.0985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854   -2.5550    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -3.4510    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499   -2.9791    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -3.8584    0.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    0.4632    1.1743 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6605    0.9772    2.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5729    1.5086    0.9021 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5531    1.4525    1.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    1.3467   -0.4231 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9615    2.4336   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3868   -2.0601   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2008    0.2250   -2.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.7406   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.2471   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    1.5053   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6184    4.0788   -1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1464    2.1291   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6832   -1.4062   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2615   -1.6552   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028   -2.9083    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -4.5062    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -3.4994    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -0.4260    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.6293    1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168    2.5215    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    0.5479    2.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    1.3069   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    2.9555   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 23 11  1  0
 22 15  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 12 38  1  0
 17 39  1  0
 18 40  1  0
 20 41  1  0
 21 42  1  0
 24 43  1  0
 25 44  1  0
 27 45  1  0
 28 46  1  1
 29 47  1  0
 30 48  1  6
 31 49  1  0
 32 50  1  1
 33 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Luteolin 3'-O-beta-D-glucopyranosiduronic acid	ChEBI
Luteolin 3'-O-beta-D-glucoronopyranoside	ChEBI
Luteolin 3'-O-b-D-glucopyranosiduronate	Generator
Luteolin 3'-O-b-D-glucopyranosiduronic acid	Generator
Luteolin 3'-O-beta-D-glucopyranosiduronate	Generator
Luteolin 3'-O-β-D-glucopyranosiduronate	Generator
Luteolin 3'-O-β-D-glucopyranosiduronic acid	Generator
Luteolin 3'-O-b-D-glucoronopyranoside	Generator
Luteolin 3'-O-β-D-glucoronopyranoside	Generator
Luteolin 3'-O-beta-D-glucuronide	HMDB
Luteolin 3'-glucuronide	ChEBI

Chemical Formula

C₂₁H₁₈O₁₂

Average Molecular Weight

462.363

Monoisotopic Molecular Weight

462.07982602

IUPAC Name

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]1(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

InChI Identifier

InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

InChI Key

JDOFZOKGCYYUER-ZFORQUDYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trihydroxyflavone (CHEBI:75726 )
luteolin O-glucuronoside (CHEBI:75726 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 32966057)

Excreta

Biofluid or Excreta

Urine (PMID: 32966057)

Source

Exogenous

Exogenous (HMDB: HMDB0240540)

Food

Vegetable

Vegetables (HMDB: HMDB0240540)

Cocoa and cocoa product

Cocoa and cocoa products (HMDB: HMDB0240540)

Coffee and coffee product

Coffee product

Coffee products (HMDB: HMDB0240540)

Tea

Tea products (HMDB: HMDB0240540)

Fat and oil

Olive oil (HMDB: HMDB0240540)

Fruit

Fruits (HMDB: HMDB0240540)

Legumes (HMDB: HMDB0240540)

Cereal and cereal product

Cereal product

Whole grain cereal products (HMDB: HMDB0240540)

Nut

Nuts (HMDB: HMDB0240540)

Beverage

Alcoholic beverage

Red wine (HMDB: HMDB0240540)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	1.22	ALOGPS
logP	0.46	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	2.96	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	106.91 m³·mol⁻¹	ChemAxon
Polarizability	43.14 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
DeepCCS	[M+H]+	196.759	30932474
DeepCCS	[M-H]-	194.914	30932474
DeepCCS	[M-2H]-	228.245	30932474
DeepCCS	[M+Na]+	203.257	30932474
AllCCS	[M+H]+	201.2	32859911
AllCCS	[M+H-H2O]+	199.0	32859911
AllCCS	[M+NH4]+	203.1	32859911
AllCCS	[M+Na]+	203.7	32859911
AllCCS	[M-H]-	196.1	32859911
AllCCS	[M+Na-2H]-	196.2	32859911
AllCCS	[M+HCOO]-	196.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 3'-glucuronide	[H][C@@]1(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	6111.8	Standard polar	33892256
Luteolin 3'-glucuronide	[H][C@@]1(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	4105.1	Standard non polar	33892256
Luteolin 3'-glucuronide	[H][C@@]1(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	4425.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 3'-glucuronide,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4353.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4326.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4421.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4324.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@H]1O	4363.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4340.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4369.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4246.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	4192.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	4228.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4271.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4270.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4232.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4268.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4249.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4208.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4250.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O	4244.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4286.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C	4219.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@@H]1O[Si](C)(C)C	4217.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4228.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4264.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4238.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4264.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4241.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4220.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C1)O2	4232.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4166.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4165.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4126.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4170.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4153.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4171.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4152.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4187.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4147.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4122.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4132.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4115.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4126.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4076.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4140.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C1)O2	4086.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C1)O2	4106.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	4078.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4176.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4130.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4188.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4123.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4137.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4142.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4117.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4146.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4179.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4149.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	4155.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4096.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4127.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4162.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4172.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4131.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4163.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4139.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4058.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4118.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4080.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4131.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4096.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4112.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4094.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4122.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4148.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4127.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4122.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4135.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4143.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4117.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4149.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4095.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4109.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4094.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4060.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4088.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4061.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #3	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4094.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C1)O2	4067.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4109.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4142.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4112.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4101.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4158.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4107.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4067.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4029.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4077.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4064.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4076.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4129.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4070.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4099.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4124.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4101.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4111.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4139.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4129.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4157.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4136.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4123.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4110.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4088.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4131.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4140.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3)OC2=C1	4109.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4115.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #6	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4099.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4054.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4078.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4054.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4103.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4132.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4110.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #4	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3)OC2=C1	4126.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4113.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4146.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4142.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4633.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C1)O2	4584.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4646.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4655.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@H]1O	4616.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O	4611.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4630.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4670.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O2	4605.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4638.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4763.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4692.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4668.1	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4705.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4733.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4693.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4736.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4675.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4733.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4657.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4664.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4729.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4689.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4671.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4695.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4719.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4693.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C1)O2	4626.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=C3)OC2=C1	4876.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4838.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4806.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4839.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4785.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4807.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4794.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O	4903.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4859.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4868.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4868.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4816.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4794.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4770.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4794.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C1)O2	4724.5	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4744.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C1)O2	4726.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4867.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4842.4	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4864.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4792.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4764.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4814.7	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4797.6	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4802.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4838.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4805.2	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O)C=C4O3)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4772.3	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4747.0	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4777.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(C3=CC(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4888.9	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3)OC2=C1	4839.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3)OC2=C1	4818.8	Semi standard non polar	33892256
Luteolin 3'-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4849.8	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 - Luteolin 3'-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 3'-glucuronide 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 - Luteolin 3'-glucuronide 10V, Negative-QTOF	splash10-03di-0000900000-74964ad00ebf6170f284	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 3'-glucuronide 20V, Negative-QTOF	splash10-03di-0000900000-3596aa291ecf84b2a008	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 3'-glucuronide 40V, Negative-QTOF	splash10-0udi-0509300000-915ae2b0a25078622dc6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 3'-glucuronide 10V, Positive-QTOF	splash10-03di-0000900000-0c115b9e354ac70b358a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 3'-glucuronide 20V, Positive-QTOF	splash10-03di-0000900000-0c115b9e354ac70b358a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 3'-glucuronide 40V, Positive-QTOF	splash10-0ik9-0916600000-96edf68e31a73939aa6a	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB093734

KNApSAcK ID

Not Available

Chemspider ID

8429271

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10253785

PDB ID

Not Available

ChEBI ID

75726

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

Not Available

Showing metabocard for Luteolin 3'-glucuronide (HMDB0240540)

MOL for HMDB0240540 (Luteolin 3'-glucuronide)

3D MOL for HMDB0240540 (Luteolin 3'-glucuronide)

3D SDF for HMDB0240540 (Luteolin 3'-glucuronide)

3D-SDF for HMDB0240540 (Luteolin 3'-glucuronide)

PDB for HMDB0240540 (Luteolin 3'-glucuronide)

3D PDB for HMDB0240540 (Luteolin 3'-glucuronide)

SMILES for HMDB0240540 (Luteolin 3'-glucuronide)

INCHI for HMDB0240540 (Luteolin 3'-glucuronide)

Structure for HMDB0240540 (Luteolin 3'-glucuronide)

3D Structure for HMDB0240540 (Luteolin 3'-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra