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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2019-10-11 15:59:23 UTC

Update Date

2022-03-07 03:18:18 UTC

HMDB ID

HMDB0240541

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Luteolin 7-glucuronide

Description

Luteolin 7-glucuronide belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Luteolin 7-glucuronide is found, on average, in the highest concentration within globe artichokes (Cynara scolymus) and lettuces (Lactuca sativa). Luteolin 7-glucuronide has also been detected, but not quantified in, several different foods, such as carrots (Daucus carota ssp. sativus), wild carrots (Daucus carota), common thymes (Thymus vulgaris), endives (Cichorium endivia), and chicories (Cichorium intybus). This could make luteolin 7-glucuronide a potential biomarker for the consumption of these foods. Luteolin 7-glucuronide is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Luteolin 7-glucuronide.

Structure

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

  Mrv1652310111917592D          

 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
    6.4302   -0.4125    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
    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
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  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
    7.1447   -0.0000    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   -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
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    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
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    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  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  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  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  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  8  1  0  0  0  0
 21 31  1  6  0  0  0
 32 13  1  0  0  0  0
 32 14  1  0  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

HMDB0240541
     RDKit          3D
Luteolin 7-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
   -6.5989    1.4462    2.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610    0.7503    2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9231    0.2562    4.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0406    0.4737    1.5025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8745   -0.3133    1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -0.2557    0.2929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9532   -0.6034    0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.1593   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.4442   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    2.2271   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    3.5038   -1.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    1.6638   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.3639   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934    3.5322   -1.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    1.6945   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.4035   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   -0.2484   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300    0.3532   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666   -0.2855   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -1.5857   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -2.1972    0.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   -2.2203    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755   -3.5415    0.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2188   -1.5596    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -0.2282   -0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    0.3649   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -0.3585    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -1.1672   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6373   -1.2412   -1.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5262   -0.5989   -0.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3887   -1.4414   -1.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600   -0.3528    0.7318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2451    0.3661    0.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6072    0.9572    4.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8810    1.3995    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.7678   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    1.9423   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505    4.1778   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    2.2770   -1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3851    1.3659   -1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947    0.2356   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896   -1.7186   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3484   -4.0188    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -2.1085    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -1.3878    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -2.1879   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555   -1.6913   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4985    0.4002   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9066   -2.0224   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2724   -1.3061    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8065    0.1140    1.4489 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 26 27  2  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
 27  8  1  0
 26 12  1  0
 24 17  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 15 39  1  0
 18 40  1  0
 19 41  1  0
 21 42  1  0
 23 43  1  0
 24 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

  Mrv1652310111917592D          

 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
    6.4302   -0.4125    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
    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
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  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
    7.1447   -0.0000    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   -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
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    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
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    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  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  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  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  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  8  1  0  0  0  0
 21 31  1  6  0  0  0
 32 13  1  0  0  0  0
 32 14  1  0  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>
HMDB0240541

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(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>
VSUOKLTVXQRUSG-ZFORQUDYSA-N

> <FORMULA>
C21H18O12

> <MOLECULAR_WEIGHT>
462.3604

> <EXACT_MASS>
462.07982604

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
42.87309712388788

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
0.4553302566666667

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.296838373138155

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7391979384789353

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686826778068572

> <JCHEM_POLAR_SURFACE_AREA>
203.44

> <JCHEM_REFRACTIVITY>
106.90659999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
luteolin 7-O-glucuronide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0240541
     RDKit          3D
Luteolin 7-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
   -6.5989    1.4462    2.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610    0.7503    2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9231    0.2562    4.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0406    0.4737    1.5025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8745   -0.3133    1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -0.2557    0.2929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9532   -0.6034    0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.1593   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.4442   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    2.2271   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    3.5038   -1.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    1.6638   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.3639   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934    3.5322   -1.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    1.6945   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.4035   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   -0.2484   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300    0.3532   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666   -0.2855   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -1.5857   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -2.1972    0.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   -2.2203    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755   -3.5415    0.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2188   -1.5596    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -0.2282   -0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    0.3649   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -0.3585    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -1.1672   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6373   -1.2412   -1.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5262   -0.5989   -0.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3887   -1.4414   -1.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600   -0.3528    0.7318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2451    0.3661    0.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6072    0.9572    4.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8810    1.3995    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.7678   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    1.9423   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505    4.1778   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    2.2770   -1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3851    1.3659   -1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947    0.2356   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896   -1.7186   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3484   -4.0188    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -2.1085    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -1.3878    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -2.1879   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555   -1.6913   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4985    0.4002   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9066   -2.0224   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2724   -1.3061    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8065    0.1140    1.4489 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 26 27  2  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
 27  8  1  0
 26 12  1  0
 24 17  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 15 39  1  0
 18 40  1  0
 19 41  1  0
 21 42  1  0
 23 43  1  0
 24 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      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   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       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -3.080   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  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       0.000  -6.160   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.667  -6.160   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.667  -1.540   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   14                                                       
CONECT    6   12   13                                                       
CONECT    7    1    3   13                                                  
CONECT    8    4    5   31                                                  
CONECT    9    2   10   22                                                  
CONECT   10    3    9   23                                                  
CONECT   11    4   15   24                                                  
CONECT   12    6   15   25                                                  
CONECT   13    6    7   32                                                  
CONECT   14    5   15   32                                                  
CONECT   15   11   12   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   31   33   38                                             
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   20                                                            
CONECT   30   20                                                            
CONECT   31    8   21                                                       
CONECT   32   13   14                                                       
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    HMDB0240541
HETATM    1  O1  UNL     1      -6.599   1.446   2.958  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.561   0.750   2.867  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.923   0.256   4.015  1.00  0.00           O  
HETATM    4  C2  UNL     1      -5.041   0.474   1.502  1.00  0.00           C  
HETATM    5  O3  UNL     1      -3.875  -0.313   1.564  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.286  -0.256   0.293  1.00  0.00           C  
HETATM    7  O4  UNL     1      -1.953  -0.603   0.315  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.851   0.159  -0.036  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.966   1.444  -0.477  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.136   2.227  -0.835  1.00  0.00           C  
HETATM   11  O5  UNL     1      -0.059   3.504  -1.267  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.392   1.664  -0.734  1.00  0.00           C  
HETATM   13  C8  UNL     1       2.533   2.364  -1.066  1.00  0.00           C  
HETATM   14  O6  UNL     1       2.493   3.532  -1.471  1.00  0.00           O  
HETATM   15  C9  UNL     1       3.752   1.694  -0.925  1.00  0.00           C  
HETATM   16  C10 UNL     1       3.851   0.403  -0.482  1.00  0.00           C  
HETATM   17  C11 UNL     1       5.157  -0.248  -0.354  1.00  0.00           C  
HETATM   18  C12 UNL     1       6.330   0.353  -0.660  1.00  0.00           C  
HETATM   19  C13 UNL     1       7.567  -0.285  -0.527  1.00  0.00           C  
HETATM   20  C14 UNL     1       7.600  -1.586  -0.065  1.00  0.00           C  
HETATM   21  O7  UNL     1       8.835  -2.197   0.059  1.00  0.00           O  
HETATM   22  C15 UNL     1       6.420  -2.220   0.253  1.00  0.00           C  
HETATM   23  O8  UNL     1       6.476  -3.542   0.721  1.00  0.00           O  
HETATM   24  C16 UNL     1       5.219  -1.560   0.110  1.00  0.00           C  
HETATM   25  O9  UNL     1       2.751  -0.228  -0.177  1.00  0.00           O  
HETATM   26  C17 UNL     1       1.564   0.365  -0.293  1.00  0.00           C  
HETATM   27  C18 UNL     1       0.430  -0.358   0.047  1.00  0.00           C  
HETATM   28  C19 UNL     1      -4.131  -1.167  -0.583  1.00  0.00           C  
HETATM   29  O10 UNL     1      -3.637  -1.241  -1.879  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.526  -0.599  -0.664  1.00  0.00           C  
HETATM   31  O11 UNL     1      -6.389  -1.441  -1.365  1.00  0.00           O  
HETATM   32  C21 UNL     1      -6.060  -0.353   0.732  1.00  0.00           C  
HETATM   33  O12 UNL     1      -7.245   0.366   0.679  1.00  0.00           O  
HETATM   34  H1  UNL     1      -4.607   0.957   4.677  1.00  0.00           H  
HETATM   35  H2  UNL     1      -4.881   1.399   0.911  1.00  0.00           H  
HETATM   36  H3  UNL     1      -3.458   0.768  -0.067  1.00  0.00           H  
HETATM   37  H4  UNL     1      -1.942   1.942  -0.576  1.00  0.00           H  
HETATM   38  H5  UNL     1       0.550   4.178  -1.550  1.00  0.00           H  
HETATM   39  H6  UNL     1       4.619   2.277  -1.196  1.00  0.00           H  
HETATM   40  H7  UNL     1       6.385   1.366  -1.026  1.00  0.00           H  
HETATM   41  H8  UNL     1       8.495   0.236  -0.785  1.00  0.00           H  
HETATM   42  H9  UNL     1       9.690  -1.719  -0.178  1.00  0.00           H  
HETATM   43  H10 UNL     1       7.348  -4.019   0.825  1.00  0.00           H  
HETATM   44  H11 UNL     1       4.306  -2.109   0.377  1.00  0.00           H  
HETATM   45  H12 UNL     1       0.542  -1.388   0.398  1.00  0.00           H  
HETATM   46  H13 UNL     1      -4.210  -2.188  -0.168  1.00  0.00           H  
HETATM   47  H14 UNL     1      -2.756  -1.691  -1.905  1.00  0.00           H  
HETATM   48  H15 UNL     1      -5.499   0.400  -1.176  1.00  0.00           H  
HETATM   49  H16 UNL     1      -6.907  -2.022  -0.754  1.00  0.00           H  
HETATM   50  H17 UNL     1      -6.272  -1.306   1.266  1.00  0.00           H  
HETATM   51  H18 UNL     1      -7.807   0.114   1.449  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   27
CONECT    9   10   37
CONECT   10   11   12   12
CONECT   11   38
CONECT   12   13   26
CONECT   13   14   14   15
CONECT   15   16   16   39
CONECT   16   17   25
CONECT   17   18   18   24
CONECT   18   19   40
CONECT   19   20   20   41
CONECT   20   21   22
CONECT   21   42
CONECT   22   23   24   24
CONECT   23   43
CONECT   24   44
CONECT   25   26
CONECT   26   27   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

HMDB0240541
     RDKit          3D
Luteolin 7-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
   -6.5989    1.4462    2.9576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610    0.7503    2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9231    0.2562    4.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0406    0.4737    1.5025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8745   -0.3133    1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -0.2557    0.2929 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9532   -0.6034    0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.1593   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.4442   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    2.2271   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    3.5038   -1.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    1.6638   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.3639   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934    3.5322   -1.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    1.6945   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.4035   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   -0.2484   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300    0.3532   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666   -0.2855   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -1.5857   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -2.1972    0.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   -2.2203    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755   -3.5415    0.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2188   -1.5596    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -0.2282   -0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    0.3649   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -0.3585    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -1.1672   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6373   -1.2412   -1.8789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5262   -0.5989   -0.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3887   -1.4414   -1.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600   -0.3528    0.7318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2451    0.3661    0.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6072    0.9572    4.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8810    1.3995    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.7678   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420    1.9423   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505    4.1778   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186    2.2770   -1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3851    1.3659   -1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947    0.2356   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896   -1.7186   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3484   -4.0188    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -2.1085    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -1.3878    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -2.1879   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555   -1.6913   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4985    0.4002   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9066   -2.0224   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2724   -1.3061    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8065    0.1140    1.4489 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
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 16 25  1  0
 25 26  1  0
 26 27  2  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
 27  8  1  0
 26 12  1  0
 24 17  1  0
  3 34  1  0
  4 35  1  6
  6 36  1  6
  9 37  1  0
 11 38  1  0
 15 39  1  0
 18 40  1  0
 19 41  1  0
 21 42  1  0
 23 43  1  0
 24 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
Cyanidenon-7-O-beta-D-glucuronic acid	ChEBI
Luteolin 7-O-beta-D-glucuronopyranoside	ChEBI
Luteolin 7-O-glucuronide	ChEBI
Luteolin 7-O-beta-D-glucuronide	Kegg
Cyanidenon-7-O-b-D-glucuronate	Generator
Cyanidenon-7-O-b-D-glucuronic acid	Generator
Cyanidenon-7-O-beta-D-glucuronate	Generator
Cyanidenon-7-O-β-D-glucuronate	Generator
Cyanidenon-7-O-β-D-glucuronic acid	Generator
Luteolin 7-O-b-D-glucuronopyranoside	Generator
Luteolin 7-O-β-D-glucuronopyranoside	Generator
Luteolin 7-O-b-D-glucuronide	Generator
Luteolin 7-O-β-D-glucuronide	Generator
Luteolin-7-glucuronide	HMDB
Luteolin 7-glucuronide	ChEBI

Chemical Formula

C₂₁H₁₈O₁₂

Average Molecular Weight

462.3604

Monoisotopic Molecular Weight

462.07982604

IUPAC Name

(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

luteolin 7-O-glucuronide

CAS Registry Number

Not Available

SMILES

[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

InChI Identifier

InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(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

VSUOKLTVXQRUSG-ZFORQUDYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glucuronides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:18128 )
glycosyloxyflavone (CHEBI:18128 )
trihydroxyflavone (CHEBI:18128 )
luteolin O-glucuronoside (CHEBI:18128 )
flavones (C03515 )
Flavones and Flavonols (C03515 )

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: HMDB0240541)

Food

Vegetable

Shoot vegetable

Globe artichoke (FooDB: FOOD00071)

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Endive (FooDB: FOOD00048)

Root vegetable

Vegetables (HMDB: HMDB0240541)

Cocoa and cocoa product

Cocoa and cocoa products (HMDB: HMDB0240541)

Coffee and coffee product

Coffee product

Coffee products (HMDB: HMDB0240541)

Tea

Tea products (HMDB: HMDB0240541)

Fat and oil

Olive oil (HMDB: HMDB0240541)

Fruit

Fruits (HMDB: HMDB0240541)

Legumes (HMDB: HMDB0240541)

Cereal and cereal product

Cereal product

Whole grain cereal products (HMDB: HMDB0240541)

Nut

Nuts (HMDB: HMDB0240541)

Beverage

Alcoholic beverage

Red wine (HMDB: HMDB0240541)

Not Available

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)	2.74	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	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	42.87 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]+	194.615	30932474
DeepCCS	[M-H]-	192.79	30932474
DeepCCS	[M-2H]-	226.034	30932474
DeepCCS	[M+Na]+	201.268	30932474
AllCCS	[M+H]+	204.1	32859911
AllCCS	[M+H-H2O]+	201.8	32859911
AllCCS	[M+NH4]+	206.3	32859911
AllCCS	[M+Na]+	206.9	32859911
AllCCS	[M-H]-	200.6	32859911
AllCCS	[M+Na-2H]-	200.9	32859911
AllCCS	[M+HCOO]-	201.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	5842.3	Standard polar	33892256
Luteolin 7-glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	4105.7	Standard non polar	33892256
Luteolin 7-glucuronide	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	4419.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-glucuronide,1TMS,isomer #1	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4379.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4412.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4453.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4373.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4429.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4404.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4437.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4231.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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=C3O2)=CC=C1O	4270.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4269.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4288.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4295.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	4264.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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=C3O2)C=C1O	4303.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4296.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4250.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4289.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	4280.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4261.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C	4252.6	Semi standard non polar	33892256
Luteolin 7-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(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C	4261.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #3	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4224.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4265.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4292.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #6	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4262.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4267.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4268.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4232.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4208.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4138.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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@H]4O)C=C3O2)C=C1O	4148.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](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@H]4O)C=C3O2)=CC=C1O	4130.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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=C3O2)C=C1O	4149.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #14	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](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=C3O2)=CC=C1O	4136.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4174.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4151.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4164.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4120.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4173.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4195.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #20	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4111.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4130.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4151.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4112.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4118.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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=C3O2)C=C1O[Si](C)(C)C	4151.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4174.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4139.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4184.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4127.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4164.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4143.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4128.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4177.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4213.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4173.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	4180.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4120.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4167.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #6	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4137.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4154.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O	4166.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TMS,isomer #9	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4149.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4149.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4115.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4129.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O	4105.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4100.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O	4119.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4112.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O[Si](C)(C)C	4125.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4107.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](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@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4099.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4107.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4157.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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=C3O2)C=C1O[Si](C)(C)C	4113.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4113.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4073.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4125.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4099.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4128.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4098.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #27	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4094.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C	4086.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C	4104.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4134.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C	4090.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4111.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4140.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4113.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4101.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4208.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4168.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4143.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4119.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4151.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4113.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4145.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4139.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4145.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O	4128.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4128.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O[Si](C)(C)C	4110.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O[Si](C)(C)C	4121.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](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@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4109.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4107.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4130.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4105.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4134.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4117.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C	4112.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4144.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4149.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4143.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4169.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4146.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4134.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4160.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4135.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4114.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4143.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4114.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4156.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4150.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)C=C1O[Si](C)(C)C	4128.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4156.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4659.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4664.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4724.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4710.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4681.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O	4671.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4690.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4758.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4716.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4727.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4820.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4752.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4732.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O	4759.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4805.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4756.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4801.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4753.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4709.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4728.9	Semi standard non polar	33892256
Luteolin 7-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(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	4745.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4685.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4719.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4811.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4763.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4780.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4704.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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)C=C3O2)=CC=C1O	4684.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4976.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4813.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #11	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O	4943.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4895.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #13	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4941.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4896.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #15	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4900.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4887.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4883.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4853.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4878.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4924.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=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)C=C3O2)=CC=C1O	4805.6	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4830.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4839.3	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)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[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4814.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4821.0	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4851.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4921.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4891.4	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4915.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=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)C=C3O2)C=C1O	4841.8	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4873.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4863.9	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)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[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4848.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4885.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4928.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4880.9	Semi standard non polar	33892256
Luteolin 7-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(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4867.7	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4828.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4870.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[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]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4798.1	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4829.2	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #8	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4935.5	Semi standard non polar	33892256
Luteolin 7-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(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)C=C3O2)=CC=C1O	4888.2	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 7-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-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
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Positive-QTOF	splash10-000i-0090000000-a1ab194af3ec44e8608c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Negative-QTOF	splash10-01p9-0090800000-7a8025a006c228d7dd96	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Positive-QTOF	splash10-000i-0090000000-8d538b68e20ab56be747	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Positive-QTOF	splash10-01p9-0090800000-1d69dbf4c423530040cf	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Negative-QTOF	splash10-000i-0090000000-b93abd5ae07655721b4b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Negative-QTOF	splash10-000i-0190000000-4e013df19881c514c9ff	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Positive-QTOF	splash10-01pa-0190700000-157efa860f7333ed6f6e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Positive-QTOF	splash10-00kr-0190000000-9811749c38f2e0788085	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Positive-QTOF	splash10-014r-1490000000-87057301c94005590cb3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Negative-QTOF	splash10-03y0-1251900000-9a2aad2d89b77e8a9e1e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Negative-QTOF	splash10-000i-2291200000-a567f6d5a16cee65c58c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Negative-QTOF	splash10-000i-3290000000-7793a6181e6b56142a4c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Negative-QTOF	splash10-01p9-0090600000-19b1a8eac4408670b577	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Negative-QTOF	splash10-0020-0090000000-c3ca49aca7adc52662ac	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Negative-QTOF	splash10-0020-0090000000-68306dd5c050e9a6b46b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 10V, Positive-QTOF	splash10-01p9-0090400000-9228c9224a8a67e29f26	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 20V, Positive-QTOF	splash10-000i-0090000000-ad6070afb384abda8f3b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucuronide 40V, Positive-QTOF	splash10-000i-0090000000-ad6070afb384abda8f3b	2021-09-24	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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

LUTEOLIN-7-O-BETA-D-GLUCURONIDE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280601

PDB ID

Not Available

ChEBI ID

18128

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1868521

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Luteolin 7-glucuronide (HMDB0240541)

MOL for HMDB0240541 (Luteolin 7-glucuronide)

3D MOL for HMDB0240541 (Luteolin 7-glucuronide)

3D SDF for HMDB0240541 (Luteolin 7-glucuronide)

3D-SDF for HMDB0240541 (Luteolin 7-glucuronide)

PDB for HMDB0240541 (Luteolin 7-glucuronide)

3D PDB for HMDB0240541 (Luteolin 7-glucuronide)

SMILES for HMDB0240541 (Luteolin 7-glucuronide)

INCHI for HMDB0240541 (Luteolin 7-glucuronide)

Structure for HMDB0240541 (Luteolin 7-glucuronide)

3D Structure for HMDB0240541 (Luteolin 7-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra