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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-17 00:50:14 UTC

Update Date

2021-09-14 15:39:00 UTC

HMDB ID

HMDB0060297

Secondary Accession Numbers

HMDB60297

Metabolite Identification

Common Name

Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]

Description

Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide], also known as luteolin 7-O-beta-D-diglucuronide, belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. These are compounds containing a carbohydrate moiety which is o-glycosidically linked to one of the flavonoid backbones (2-phenylchromen-4-one, 3-phenylchromen-4-one or 4-phenylcoumarin). Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] is an extremely weak basic (essentially neutral) compound (based on its pKa). Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] exists in all living organisms, ranging from bacteria to humans.

Structure

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

  Mrv1652303102016592D          

 45 49  0  0  0  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
   -2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  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
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -2.8875    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
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    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
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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  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
 19 18  1  0  0  0  0
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 23 19  1  0  0  0  0
 21 24  1  1  0  0  0
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 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  2  0  0  0  0
 16 32  1  1  0  0  0
 17 33  1  6  0  0  0
 18 34  1  6  0  0  0
 19 35  1  1  0  0  0
 20 36  1  6  0  0  0
 37 24  2  0  0  0  0
 38 24  1  0  0  0  0
 39 25  2  0  0  0  0
 40 25  1  0  0  0  0
 41  8  1  0  0  0  0
 27 41  1  1  0  0  0
 42 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 21  1  0  0  0  0
 43 26  1  0  0  0  0
 44 22  1  0  0  0  0
 44 27  1  0  0  0  0
 23 45  1  6  0  0  0
 26 45  1  1  0  0  0
M  END

HMDB0060297
     RDKit          3D
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
 71 75  0  0  0  0  0  0  0  0999 V2000
   -1.5042   -4.6962   -0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -3.7165    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102   -3.8879    1.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872   -2.4185   -0.1098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9955   -1.5744    0.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.3444    0.6166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1361   -0.5561    0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.0077    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.8253    1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.4033    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    2.2215    3.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    1.0844    1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3106   -0.8245   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4949   -1.1997   -1.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3501    0.0268   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5908    0.4771    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673    0.4184    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5755   -0.0821    0.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.2361    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -0.2851    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173    0.1921   -0.5298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6095   -0.1116   -0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4665    0.9816   -0.0962 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9460    1.2027    1.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2801    0.9352    1.2880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5606   -0.5019    1.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7357   -0.9772    1.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.4289    0.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2032    1.8274    0.4892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3622    3.0190    1.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4734    2.1629   -0.7982 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3053    2.4907   -1.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9654    1.3502   -2.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -0.5440   -1.7490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4937   -0.0732   -1.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -2.0082   -1.4521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6071   -2.6346   -2.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2823   -2.7001   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9580   -1.2416   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4881   -1.8238   -2.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311    1.1133    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2927    1.0864    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -0.9495   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075    1.2659   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822    1.8709   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4963   -3.6176   -2.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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 32 33  1  0
 33 34  2  0
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 40 41  1  0
 28 42  1  0
 42 43  1  0
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 27  8  1  0
 40 30  1  0
 26 12  1  0
 24 17  1  0
  3 46  1  0
  4 47  1  6
  6 48  1  1
  9 49  1  0
 11 50  1  0
 15 51  1  0
 18 52  1  0
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 27 57  1  0
 28 58  1  6
 30 59  1  6
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 38 64  1  1
 39 65  1  0
 40 66  1  6
 41 67  1  0
 42 68  1  6
 43 69  1  0
 44 70  1  6
 45 71  1  0
M  END

  Mrv1652303102016592D          

 45 49  0  0  0  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
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   -2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.5724    2.0625    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
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    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
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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  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
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  1  0  0  0
 22 25  1  1  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  2  0  0  0  0
 16 32  1  1  0  0  0
 17 33  1  6  0  0  0
 18 34  1  6  0  0  0
 19 35  1  1  0  0  0
 20 36  1  6  0  0  0
 37 24  2  0  0  0  0
 38 24  1  0  0  0  0
 39 25  2  0  0  0  0
 40 25  1  0  0  0  0
 41  8  1  0  0  0  0
 27 41  1  1  0  0  0
 42 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 21  1  0  0  0  0
 43 26  1  0  0  0  0
 44 22  1  0  0  0  0
 44 27  1  0  0  0  0
 23 45  1  6  0  0  0
 26 45  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060297

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

> <INCHI_KEY>
PBBVWJQPAZYQDB-DBFWEQBMSA-N

> <FORMULA>
C27H26O18

> <MOLECULAR_WEIGHT>
638.4845

> <EXACT_MASS>
638.111914028

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
59.29383698482972

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
-0.995230851

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.221235740451682

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.59956636109811

> <JCHEM_PKA_STRONGEST_BASIC>
-3.948541072594744

> <JCHEM_POLAR_SURFACE_AREA>
299.66

> <JCHEM_REFRACTIVITY>
139.18729999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060297
     RDKit          3D
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
 71 75  0  0  0  0  0  0  0  0999 V2000
   -1.5042   -4.6962   -0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -3.7165    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102   -3.8879    1.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872   -2.4185   -0.1098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9955   -1.5744    0.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.3444    0.6166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1361   -0.5561    0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.0077    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.8253    1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.4033    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    2.2215    3.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    1.0844    1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596    1.5876    2.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779    2.3686    3.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6453    1.2147    1.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.3820    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.0167    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242   -0.8731   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0714   -1.2703   -1.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3106   -0.8245   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4949   -1.1997   -1.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3501    0.0268   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5908    0.4771    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673    0.4184    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5755   -0.0821    0.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.2361    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -0.2851    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173    0.1921   -0.5298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6095   -0.1116   -0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4665    0.9816   -0.0962 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9460    1.2027    1.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2801    0.9352    1.2880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5606   -0.5019    1.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7357   -0.9772    1.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.4289    0.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2032    1.8274    0.4892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3622    3.0190    1.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4734    2.1629   -0.7982 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3053    2.4907   -1.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    1.0164   -1.1498 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9654    1.3502   -2.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -0.5440   -1.7490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4937   -0.0732   -1.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -2.0082   -1.4521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6071   -2.6346   -2.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -3.8781    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2823   -2.7001   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.3129    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    1.1108    2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    2.6999    4.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5547    1.6241    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -1.2416   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0695   -1.9456   -2.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4881   -1.8238   -2.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311    1.1133    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2927    1.0864    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -0.9495   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075    1.2659   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822    1.8709   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104    1.2097    2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6921   -2.0694    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1828    1.3818    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8190    2.8821    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8164    3.0293   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9879    2.2443   -2.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1220    0.1045   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    2.1289   -2.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -0.2952   -2.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1457   -0.5274   -2.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401   -2.4079   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963   -3.6176   -2.3813 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
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 32 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 28 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  4  1  0
 27  8  1  0
 40 30  1  0
 26 12  1  0
 24 17  1  0
  3 46  1  0
  4 47  1  6
  6 48  1  1
  9 49  1  0
 11 50  1  0
 15 51  1  0
 18 52  1  0
 19 53  1  0
 21 54  1  0
 23 55  1  0
 24 56  1  0
 27 57  1  0
 28 58  1  6
 30 59  1  6
 32 60  1  1
 35 61  1  0
 36 62  1  6
 37 63  1  0
 38 64  1  1
 39 65  1  0
 40 66  1  6
 41 67  1  0
 42 68  1  6
 43 69  1  0
 44 70  1  6
 45 71  1  0
M  END

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         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      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+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   41                                                  
CONECT    9    2   10   28                                                  
CONECT   10    3    9   29                                                  
CONECT   11    4   15   30                                                  
CONECT   12    6   15   31                                                  
CONECT   13    6    7   42                                                  
CONECT   14    5   15   42                                                  
CONECT   15   11   12   14                                                  
CONECT   16   17   20   32                                                  
CONECT   17   16   21   33                                                  
CONECT   18   19   22   34                                                  
CONECT   19   18   23   35                                                  
CONECT   20   16   26   36                                                  
CONECT   21   17   24   43                                                  
CONECT   22   18   25   44                                                  
CONECT   23   19   27   45                                                  
CONECT   24   21   37   38                                                  
CONECT   25   22   39   40                                                  
CONECT   26   20   43   45                                                  
CONECT   27   23   41   44                                                  
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   16                                                            
CONECT   33   17                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   24                                                            
CONECT   38   24                                                            
CONECT   39   25                                                            
CONECT   40   25                                                            
CONECT   41    8   27                                                       
CONECT   42   13   14                                                       
CONECT   43   21   26                                                       
CONECT   44   22   27                                                       
CONECT   45   23   26                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

COMPND    HMDB0060297
HETATM    1  O1  UNL     1      -1.504  -4.696  -0.562  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.494  -3.717   0.225  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.810  -3.888   1.422  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.187  -2.418  -0.110  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.995  -1.574   0.923  1.00  0.00           O  
HETATM    6  C3  UNL     1      -1.428  -0.344   0.617  1.00  0.00           C  
HETATM    7  O4  UNL     1      -0.136  -0.556   0.199  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.984  -0.008   0.768  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.915   0.825   1.837  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.061   1.403   2.442  1.00  0.00           C  
HETATM   11  O5  UNL     1       1.914   2.222   3.501  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.282   1.084   1.895  1.00  0.00           C  
HETATM   13  C8  UNL     1       4.460   1.588   2.400  1.00  0.00           C  
HETATM   14  O6  UNL     1       4.478   2.369   3.393  1.00  0.00           O  
HETATM   15  C9  UNL     1       5.645   1.215   1.788  1.00  0.00           C  
HETATM   16  C10 UNL     1       5.706   0.382   0.720  1.00  0.00           C  
HETATM   17  C11 UNL     1       6.948  -0.017   0.069  1.00  0.00           C  
HETATM   18  C12 UNL     1       6.924  -0.873  -1.019  1.00  0.00           C  
HETATM   19  C13 UNL     1       8.071  -1.270  -1.658  1.00  0.00           C  
HETATM   20  C14 UNL     1       9.311  -0.824  -1.234  1.00  0.00           C  
HETATM   21  O7  UNL     1      10.495  -1.200  -1.849  1.00  0.00           O  
HETATM   22  C15 UNL     1       9.350   0.027  -0.155  1.00  0.00           C  
HETATM   23  O8  UNL     1      10.591   0.477   0.274  1.00  0.00           O  
HETATM   24  C16 UNL     1       8.167   0.418   0.481  1.00  0.00           C  
HETATM   25  O9  UNL     1       4.576  -0.082   0.259  1.00  0.00           O  
HETATM   26  C17 UNL     1       3.412   0.236   0.799  1.00  0.00           C  
HETATM   27  C18 UNL     1       2.253  -0.285   0.268  1.00  0.00           C  
HETATM   28  C19 UNL     1      -2.317   0.192  -0.530  1.00  0.00           C  
HETATM   29  O10 UNL     1      -3.609  -0.112  -0.203  1.00  0.00           O  
HETATM   30  C20 UNL     1      -4.466   0.982  -0.096  1.00  0.00           C  
HETATM   31  O11 UNL     1      -4.946   1.203   1.143  1.00  0.00           O  
HETATM   32  C21 UNL     1      -6.280   0.935   1.288  1.00  0.00           C  
HETATM   33  C22 UNL     1      -6.561  -0.502   1.120  1.00  0.00           C  
HETATM   34  O12 UNL     1      -7.736  -0.977   1.164  1.00  0.00           O  
HETATM   35  O13 UNL     1      -5.557  -1.429   0.904  1.00  0.00           O  
HETATM   36  C23 UNL     1      -7.203   1.827   0.489  1.00  0.00           C  
HETATM   37  O14 UNL     1      -7.362   3.019   1.192  1.00  0.00           O  
HETATM   38  C24 UNL     1      -6.473   2.163  -0.798  1.00  0.00           C  
HETATM   39  O15 UNL     1      -7.305   2.491  -1.837  1.00  0.00           O  
HETATM   40  C25 UNL     1      -5.513   1.016  -1.150  1.00  0.00           C  
HETATM   41  O16 UNL     1      -4.965   1.350  -2.391  1.00  0.00           O  
HETATM   42  C26 UNL     1      -1.804  -0.544  -1.749  1.00  0.00           C  
HETATM   43  O17 UNL     1      -0.494  -0.073  -1.966  1.00  0.00           O  
HETATM   44  C27 UNL     1      -1.759  -2.008  -1.452  1.00  0.00           C  
HETATM   45  O18 UNL     1      -2.607  -2.635  -2.397  1.00  0.00           O  
HETATM   46  H1  UNL     1       0.217  -3.878   1.341  1.00  0.00           H  
HETATM   47  H2  UNL     1      -3.282  -2.700  -0.129  1.00  0.00           H  
HETATM   48  H3  UNL     1      -1.586   0.313   1.472  1.00  0.00           H  
HETATM   49  H4  UNL     1      -0.037   1.111   2.311  1.00  0.00           H  
HETATM   50  H5  UNL     1       2.523   2.700   4.040  1.00  0.00           H  
HETATM   51  H6  UNL     1       6.555   1.624   2.205  1.00  0.00           H  
HETATM   52  H7  UNL     1       5.958  -1.242  -1.376  1.00  0.00           H  
HETATM   53  H8  UNL     1       8.070  -1.946  -2.517  1.00  0.00           H  
HETATM   54  H9  UNL     1      10.488  -1.824  -2.644  1.00  0.00           H  
HETATM   55  H10 UNL     1      10.631   1.113   1.080  1.00  0.00           H  
HETATM   56  H11 UNL     1       8.293   1.086   1.317  1.00  0.00           H  
HETATM   57  H12 UNL     1       2.304  -0.949  -0.584  1.00  0.00           H  
HETATM   58  H13 UNL     1      -2.107   1.266  -0.669  1.00  0.00           H  
HETATM   59  H14 UNL     1      -3.782   1.871  -0.330  1.00  0.00           H  
HETATM   60  H15 UNL     1      -6.510   1.210   2.377  1.00  0.00           H  
HETATM   61  H16 UNL     1      -5.692  -2.069   0.126  1.00  0.00           H  
HETATM   62  H17 UNL     1      -8.183   1.382   0.317  1.00  0.00           H  
HETATM   63  H18 UNL     1      -7.819   2.882   2.062  1.00  0.00           H  
HETATM   64  H19 UNL     1      -5.816   3.029  -0.583  1.00  0.00           H  
HETATM   65  H20 UNL     1      -6.988   2.244  -2.721  1.00  0.00           H  
HETATM   66  H21 UNL     1      -6.122   0.104  -1.264  1.00  0.00           H  
HETATM   67  H22 UNL     1      -4.386   2.129  -2.357  1.00  0.00           H  
HETATM   68  H23 UNL     1      -2.373  -0.295  -2.665  1.00  0.00           H  
HETATM   69  H24 UNL     1      -0.146  -0.527  -2.793  1.00  0.00           H  
HETATM   70  H25 UNL     1      -0.740  -2.408  -1.684  1.00  0.00           H  
HETATM   71  H26 UNL     1      -2.496  -3.618  -2.381  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   46
CONECT    4    5   44   47
CONECT    5    6
CONECT    6    7   28   48
CONECT    7    8
CONECT    8    9    9   27
CONECT    9   10   49
CONECT   10   11   12   12
CONECT   11   50
CONECT   12   13   26
CONECT   13   14   14   15
CONECT   15   16   16   51
CONECT   16   17   25
CONECT   17   18   18   24
CONECT   18   19   52
CONECT   19   20   20   53
CONECT   20   21   22
CONECT   21   54
CONECT   22   23   24   24
CONECT   23   55
CONECT   24   56
CONECT   25   26
CONECT   26   27   27
CONECT   27   57
CONECT   28   29   42   58
CONECT   29   30
CONECT   30   31   40   59
CONECT   31   32
CONECT   32   33   36   60
CONECT   33   34   34   35
CONECT   35   61
CONECT   36   37   38   62
CONECT   37   63
CONECT   38   39   40   64
CONECT   39   65
CONECT   40   41   66
CONECT   41   67
CONECT   42   43   44   68
CONECT   43   69
CONECT   44   45   70
CONECT   45   71
END

HMDB0060297
     RDKit          3D
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
 71 75  0  0  0  0  0  0  0  0999 V2000
   -1.5042   -4.6962   -0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -3.7165    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102   -3.8879    1.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872   -2.4185   -0.1098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9955   -1.5744    0.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.3444    0.6166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1361   -0.5561    0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.0077    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.8253    1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.4033    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    2.2215    3.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    1.0844    1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596    1.5876    2.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779    2.3686    3.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6453    1.2147    1.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.3820    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.0167    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9242   -0.8731   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0714   -1.2703   -1.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3106   -0.8245   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4949   -1.1997   -1.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3501    0.0268   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5908    0.4771    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673    0.4184    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5755   -0.0821    0.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.2361    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -0.2851    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173    0.1921   -0.5298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6095   -0.1116   -0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4665    0.9816   -0.0962 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9460    1.2027    1.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2801    0.9352    1.2880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5606   -0.5019    1.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7357   -0.9772    1.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.4289    0.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2032    1.8274    0.4892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3622    3.0190    1.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4734    2.1629   -0.7982 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3053    2.4907   -1.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    1.0164   -1.1498 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9654    1.3502   -2.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -0.5440   -1.7490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4937   -0.0732   -1.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -2.0082   -1.4521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6071   -2.6346   -2.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -3.8781    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2823   -2.7001   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.3129    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    1.1108    2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    2.6999    4.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5547    1.6241    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -1.2416   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0695   -1.9456   -2.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4881   -1.8238   -2.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311    1.1133    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2927    1.0864    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -0.9495   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075    1.2659   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822    1.8709   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104    1.2097    2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6921   -2.0694    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1828    1.3818    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8190    2.8821    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8164    3.0293   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9879    2.2443   -2.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1220    0.1045   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    2.1289   -2.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -0.2952   -2.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1457   -0.5274   -2.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401   -2.4079   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963   -3.6176   -2.3813 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
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 32 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 28 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  4  1  0
 27  8  1  0
 40 30  1  0
 26 12  1  0
 24 17  1  0
  3 46  1  0
  4 47  1  6
  6 48  1  1
  9 49  1  0
 11 50  1  0
 15 51  1  0
 18 52  1  0
 19 53  1  0
 21 54  1  0
 23 55  1  0
 24 56  1  0
 27 57  1  0
 28 58  1  6
 30 59  1  6
 32 60  1  1
 35 61  1  0
 36 62  1  6
 37 63  1  0
 38 64  1  1
 39 65  1  0
 40 66  1  6
 41 67  1  0
 42 68  1  6
 43 69  1  0
 44 70  1  6
 45 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Luteolin 7-O-beta-D-diglucuronide	ChEBI
Luteolin-7-O-[beta-glucuronosyl-(1->2)-beta-glucuronide]	ChEBI
Luteolin 7-O-b-D-diglucuronide	Generator
Luteolin 7-O-β-D-diglucuronide	Generator
Luteolin-7-O-[b-glucuronosyl-(1->2)-b-glucuronide]	Generator
Luteolin-7-O-[β-glucuronosyl-(1->2)-β-glucuronide]	Generator
Luteolin 7-O-[b-D-glucuronosyl-(1->2)-b-D-glucuronide]	Generator
Luteolin 7-O-[β-D-glucuronosyl-(1->2)-β-D-glucuronide]	Generator
Luteolin-7-O-[b-D-glucuronosyl-(1->2)-b-D-glucuronide]	HMDB
Luteolin-7-O-[β-D-glucuronosyl-(1->2)-β-D-glucuronide]	HMDB

Chemical Formula

C₂₇H₂₆O₁₈

Average Molecular Weight

638.4845

Monoisotopic Molecular Weight

638.111914028

IUPAC Name

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

Traditional Name

(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

InChI Key

PBBVWJQPAZYQDB-DBFWEQBMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzonitriles

Direct Parent

Benzonitriles

Alternative Parents

Substituents

Benzonitrile
M-xylene
Xylene
Styrene
Aniline or substituted anilines
Aminopyrimidine
Hydropyrimidine
Pyrimidine
Imidolactam
Heteroaromatic compound
Azacycle
Secondary amine
Nitrile
Carbonitrile
Organoheterocyclic compound
Amine
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aminopyrimidine (CHEBI:68606 )
nitrile (CHEBI:68606 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0060297)

Organ

Liver (HMDB: HMDB0060297)
Kidney (HMDB: HMDB0060297)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0060297)

Source

Endogenous

Endogenous (HMDB: HMDB0060297)

Plant

Plant (HMDB: HMDB0060297)

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Lagomorph

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Poultry

Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)

Equine

Horse (FooDB: FOOD00378)

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0060297)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.35 g/L	ALOGPS
logP	0.93	ALOGPS
logP	-1	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	2.6	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	299.66 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	139.19 m³·mol⁻¹	ChemAxon
Polarizability	59.29 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	230.842	30932474
DeepCCS	[M-H]-	228.829	30932474
DeepCCS	[M-2H]-	262.656	30932474
DeepCCS	[M+Na]+	236.928	30932474
AllCCS	[M+H]+	232.7	32859911
AllCCS	[M+H-H2O]+	231.6	32859911
AllCCS	[M+NH4]+	233.7	32859911
AllCCS	[M+Na]+	233.9	32859911
AllCCS	[M-H]-	231.0	32859911
AllCCS	[M+Na-2H]-	233.2	32859911
AllCCS	[M+HCOO]-	235.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]	O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O	6326.7	Standard polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]	O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O	4906.8	Standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]	O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O	5794.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@@H]1O	5553.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5507.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[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	5555.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #3	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	5554.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #4	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5583.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #5	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5547.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #6	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5598.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #7	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5626.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #8	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5510.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5579.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	5432.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	5421.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5380.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #12	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5409.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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)[C@H](O)[C@H]4O[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	5450.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #14	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	5424.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #15	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5381.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #16	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	5428.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #17	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5415.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #18	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C	5433.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,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)=C4)OC3=C2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5386.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5377.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #20	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[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	5406.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #21	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5440.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #22	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5407.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5373.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #24	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[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5424.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,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)=C4)OC3=C2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5421.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #26	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[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	5430.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #27	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5468.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #28	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5439.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5396.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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)[C@H]2O[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	5404.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #30	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	5453.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #31	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5376.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5368.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #33	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5429.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #34	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5432.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #35	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5399.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #36	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5397.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5395.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #38	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5441.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #39	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	5451.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #4	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	5435.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #40	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5425.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5422.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #42	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5468.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #43	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5353.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #44	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5403.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5402.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #5	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	5404.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #6	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5382.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	5424.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #8	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5398.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	5409.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5277.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5255.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #100	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5300.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #101	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5262.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #102	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5242.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #103	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5223.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #104	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5276.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #105	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5266.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #106	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5245.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #107	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5275.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #108	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5303.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #109	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5280.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5226.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #110	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	5338.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #111	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5309.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #112	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5235.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #113	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5262.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #114	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5311.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #115	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5266.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #116	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@@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	5357.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #117	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5255.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #118	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5289.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #119	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5292.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #12	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5236.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #120	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5261.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5269.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5241.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	5264.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #16	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5251.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #17	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[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	5286.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #18	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[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	5254.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #19	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5271.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5293.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,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[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	5270.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #21	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	5243.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,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)=C4)OC3=C2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5255.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #23	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	5282.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	5241.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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[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	5277.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #26	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@@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	5320.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5227.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #28	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	5254.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #29	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	5211.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,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@@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	5295.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #30	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@@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	5252.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #31	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5258.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5255.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5296.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	5283.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #35	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1O	5289.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #36	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[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	5267.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	5286.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #38	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[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	5286.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #39	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@@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	5299.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #4	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@@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	5272.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #40	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@@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	5274.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #41	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5274.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #42	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	5306.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	5283.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5254.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5274.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #46	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5248.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #47	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]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5244.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #48	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5280.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5259.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #5	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5280.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #50	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5254.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #51	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[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	5293.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #52	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[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	5279.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #53	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	5291.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #54	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	5268.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #55	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5271.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #56	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	5302.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #57	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	5274.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #58	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@@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	5343.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #59	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5245.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #6	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	5310.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #60	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	5276.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #61	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	5247.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #62	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	5269.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #63	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	5298.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[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[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5303.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #65	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5302.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #66	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[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	5294.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #67	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5296.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #68	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5272.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #69	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5269.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #7	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[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	5276.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #70	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	5311.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #71	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5251.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #72	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5255.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #73	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5226.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #74	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5237.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #75	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5279.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #76	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5238.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #77	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[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	5282.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #78	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5264.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #79	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5243.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	5293.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #80	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5249.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #81	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5276.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #82	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	5319.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #83	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5220.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #84	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5250.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #85	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5266.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #86	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5292.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #87	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5305.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #88	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5278.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #89	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5275.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5245.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #90	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5322.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #91	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5266.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #92	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[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	5315.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #93	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5298.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #94	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5276.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #95	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5288.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #96	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5321.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #97	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	5354.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #98	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5261.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],3TMS,isomer #99	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@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5297.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@@H]1O	5752.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5776.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[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	5749.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #3	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	5747.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #4	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5778.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #5	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[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	5744.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #6	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5767.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #7	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5809.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #8	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5779.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5774.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5786.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5783.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5789.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #12	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[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	5756.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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)[C@H](O)[C@H]4O[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	5788.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #14	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@@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	5743.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #15	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5788.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #16	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	5789.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #17	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5783.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #18	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C(C)(C)C	5788.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,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)=C4)OC3=C2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5787.0	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5784.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #20	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[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	5746.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #21	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5772.6	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #22	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5724.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5779.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #24	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[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5776.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #25	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5815.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #26	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[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	5770.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #27	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5801.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #28	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5756.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5804.3	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-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)[C@H]2O[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	5751.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #30	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	5805.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #31	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5768.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5766.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #33	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[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	5769.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #34	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	5794.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #35	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@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	5745.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #36	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5771.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5773.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #38	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@@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	5758.4	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #39	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@@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	5786.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #4	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@@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	5781.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #40	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5817.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5817.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #42	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@@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	5803.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #43	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]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5807.9	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #44	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]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5805.1	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5810.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #5	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@@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	5733.5	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #6	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]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5787.2	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	5787.7	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #8	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[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5758.8	Semi standard non polar	33892256
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C(O)=C5)OC4=C3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	5771.2	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-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fk9-3230092000-ea586362caa9811d734a	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	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 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 10V, Positive-QTOF	splash10-007a-0190708000-3d49ae4f96ee951e9a47	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 20V, Positive-QTOF	splash10-000i-0190300000-58045aa21bff6be8fde8	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 40V, Positive-QTOF	splash10-000i-0590100000-3a3f84a9e4792f8e9f1a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 10V, Negative-QTOF	splash10-000l-2683988000-404d4bc0c3bffae7c491	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 20V, Negative-QTOF	splash10-000i-2691521000-3e459376349ced77a414	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 40V, Negative-QTOF	splash10-000m-3890210000-d1d3d2eefee06ac61d1e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 10V, Positive-QTOF	splash10-000i-0090004000-80a4e61137f91cc1999a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 20V, Positive-QTOF	splash10-000i-0090000000-ad6070afb384abda8f3b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 40V, Positive-QTOF	splash10-000i-0090000000-ad6070afb384abda8f3b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 10V, Negative-QTOF	splash10-000i-0090006000-82b8470e9ac8715f73b4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 20V, Negative-QTOF	splash10-0020-0090000000-c3ca49aca7adc52662ac	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 40V, Negative-QTOF	splash10-0020-0090000000-68306dd5c050e9a6b46b	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB034580

KNApSAcK ID

C00004288

Chemspider ID

Not Available

KEGG Compound ID

C12632

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5282153

PDB ID

Not Available

ChEBI ID

60077

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

Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details

1. Beta-glucuronidase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: Plays an important role in the degradation of dermatan and keratan sulfates.
Gene Name:: GUSB
Uniprot ID:: P08236
Molecular weight:: 74731.46

Reactions

Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide + Water → Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] + D-Glucuronic acid	details

Showing metabocard for Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] (HMDB0060297)

MOL for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

3D MOL for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

3D SDF for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

3D-SDF for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

PDB for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

3D PDB for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

SMILES for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

INCHI for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

Structure for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

3D Structure for HMDB0060297 (Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions