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Showing metabocard for Isorhamnetin 4'-O-glucuronide (HMDB0041757)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:40:51 UTC
Update Date2022-03-07 02:57:11 UTC
HMDB IDHMDB0041757
Secondary Accession Numbers
  • HMDB41757
Metabolite Identification
Common NameIsorhamnetin 4'-O-glucuronide
DescriptionIsorhamnetin 4'-O-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Based on a literature review very few articles have been published on Isorhamnetin 4'-O-glucuronide.
Structure
Data?1563863699
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)


  Mrv1652309151722042D          

 35 38  0  0  1  0            999 V2000
   -0.0408   -1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -2.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -5.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -2.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -1.4496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -1.0371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1025    0.2004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3880   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3880   -1.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -0.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  1  0  0  0  0
  4 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  6  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  1  0  0  0
 26 34  1  6  0  0  0
 25 35  1  1  0  0  0
M  END
Download

3D MOL for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

HMDB0041757
     RDKit          3D
Isorhamnetin 4'-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -0.3626    2.5881   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    1.3586   -0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    0.1248   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    0.0568   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018   -1.1453   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.1088    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    0.0750    0.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    0.2627    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5389    1.5453    0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826    1.7735    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3814    3.0789    0.8973 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7355    0.6925    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2265   -0.5845    0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   -1.6783    0.6676 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733   -0.8033    0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -2.0579    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0518   -3.0668    0.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397   -2.2197    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -3.4948   -0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.2702   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -2.2331   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -1.0027   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -1.0867   -0.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455   -0.1573   -0.6653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3902   -0.4087    0.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3326    0.6129    0.2685 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9102    0.9879    1.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5569    0.4170    2.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8611    1.9866    1.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3958    0.0891   -0.6974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1891    1.0890   -1.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6490   -0.6886   -1.7565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6234   -2.0420   -1.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2488   -0.1916   -1.9602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2992    1.0388   -2.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509    2.6848    0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676    2.7737   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    3.3837   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.9688    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    2.3926    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463    3.5302    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7872    0.8929    0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0624   -1.6223    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405   -4.2957   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -3.2544   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675   -3.1595   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238    0.8920   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927    1.5108   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6383    2.9661    1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9899   -0.6522   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7055    1.9495   -1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1934   -0.5271   -2.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7557   -2.2553   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286   -0.9133   -2.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1238    1.1976   -3.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  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  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
  5 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 22  3  1  0
 34 24  1  0
 18  6  2  0
 15  8  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 24 47  1  1
 26 48  1  6
 29 49  1  0
 30 50  1  1
 31 51  1  0
 32 52  1  6
 33 53  1  0
 34 54  1  6
 35 55  1  0
M  END
Download

3D SDF for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)


  Mrv1652309151722042D          

 35 38  0  0  1  0            999 V2000
   -0.0408   -1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -2.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -4.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842   -3.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -3.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -5.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -5.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -2.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -1.4496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -1.0371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8171   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1025    0.2004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3880   -0.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3880   -1.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    0.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408   -0.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    1.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -1.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  1  0  0  0  0
  4 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  6  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  1  0  0  0
 26 34  1  6  0  0  0
 25 35  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0041757

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1

> <INCHI_KEY>
NCHMCZDLVWDQLC-YWQONGFDSA-N

> <FORMULA>
C22H20O13

> <MOLECULAR_WEIGHT>
492.3864

> <EXACT_MASS>
492.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
45.8971032289663

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.02

> <JCHEM_LOGP>
0.35439996466666684

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.382465685292791

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0579586533522227

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686827976063914

> <JCHEM_POLAR_SURFACE_AREA>
212.67

> <JCHEM_REFRACTIVITY>
113.35629999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.23e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

HMDB0041757
     RDKit          3D
Isorhamnetin 4'-O-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
   -0.3626    2.5881   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    1.3586   -0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    0.1248   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    0.0568   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018   -1.1453   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.1088    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    0.0750    0.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    0.2627    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5389    1.5453    0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826    1.7735    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3814    3.0789    0.8973 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7355    0.6925    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2265   -0.5845    0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   -1.6783    0.6676 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733   -0.8033    0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -2.0579    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0518   -3.0668    0.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397   -2.2197    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -3.4948   -0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.2702   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -2.2331   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -1.0027   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -1.0867   -0.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455   -0.1573   -0.6653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3902   -0.4087    0.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3326    0.6129    0.2685 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9102    0.9879    1.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5569    0.4170    2.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8611    1.9866    1.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3958    0.0891   -0.6974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1891    1.0890   -1.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6490   -0.6886   -1.7565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6234   -2.0420   -1.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2488   -0.1916   -1.9602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2992    1.0388   -2.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509    2.6848    0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676    2.7737   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    3.3837   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.9688    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    2.3926    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463    3.5302    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7872    0.8929    0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0624   -1.6223    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405   -4.2957   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -3.2544   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675   -3.1595   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238    0.8920   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927    1.5108   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6383    2.9661    1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9899   -0.6522   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7055    1.9495   -1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1934   -0.5271   -2.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7557   -2.2553   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286   -0.9133   -2.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1238    1.1976   -3.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  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  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
  5 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 22  3  1  0
 34 24  1  0
 18  6  2  0
 15  8  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 24 47  1  1
 26 48  1  6
 29 49  1  0
 30 50  1  1
 31 51  1  0
 32 52  1  6
 33 53  1  0
 34 54  1  6
 35 55  1  0
M  END
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PDB for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

HEADER    PROTEIN                                 15-SEP-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-17         0                                  
HETATM    1  C   UNK     0      -0.076  -1.936   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.257  -2.706   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.257  -4.246   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.591  -5.016   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.591  -6.556   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.257  -7.326   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.076  -6.556   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.076  -5.016   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.410  -7.326   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.410  -8.866   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.744  -9.636   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.744 -11.176   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -4.077  -8.866   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.411  -9.636   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.745  -8.866   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.745  -7.326   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.411  -6.556   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.077  -7.326   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.744  -6.556   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -8.078  -6.556   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.411 -11.176   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -0.076  -9.636   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.925  -4.246   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.925  -2.706   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.259  -1.936   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.259  -0.396   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.925   0.374   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.591  -0.396   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.591  -1.936   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.257   0.374   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.257   1.914   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.076  -0.396   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.925   1.914   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.592   0.374   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       6.592  -2.706   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5   23                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7    3                                                       
CONECT    9    7   10   19                                                  
CONECT   10    9   11   22                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18    9                                                       
CONECT   20   16                                                            
CONECT   21   14                                                            
CONECT   22   10                                                            
CONECT   23    4   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26   35                                                  
CONECT   26   25   27   34                                                  
CONECT   27   26   28   33                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   24                                                       
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   27                                                            
CONECT   34   26                                                            
CONECT   35   25                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END
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3D PDB for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

COMPND    HMDB0041757
HETATM    1  C1  UNL     1      -0.363   2.588  -0.105  1.00  0.00           C  
HETATM    2  O1  UNL     1      -0.996   1.359  -0.263  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.358   0.125  -0.263  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.994   0.057  -0.099  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.702  -1.145  -0.088  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.157  -1.109   0.095  1.00  0.00           C  
HETATM    7  O2  UNL     1       3.729   0.075   0.245  1.00  0.00           O  
HETATM    8  C6  UNL     1       5.001   0.263   0.415  1.00  0.00           C  
HETATM    9  C7  UNL     1       5.539   1.545   0.567  1.00  0.00           C  
HETATM   10  C8  UNL     1       6.883   1.773   0.749  1.00  0.00           C  
HETATM   11  O3  UNL     1       7.381   3.079   0.897  1.00  0.00           O  
HETATM   12  C9  UNL     1       7.736   0.693   0.784  1.00  0.00           C  
HETATM   13  C10 UNL     1       7.226  -0.584   0.636  1.00  0.00           C  
HETATM   14  O4  UNL     1       8.061  -1.678   0.668  1.00  0.00           O  
HETATM   15  C11 UNL     1       5.873  -0.803   0.453  1.00  0.00           C  
HETATM   16  C12 UNL     1       5.331  -2.058   0.303  1.00  0.00           C  
HETATM   17  O5  UNL     1       6.052  -3.067   0.326  1.00  0.00           O  
HETATM   18  C13 UNL     1       3.940  -2.220   0.119  1.00  0.00           C  
HETATM   19  O6  UNL     1       3.438  -3.495  -0.027  1.00  0.00           O  
HETATM   20  C14 UNL     1       0.954  -2.270  -0.253  1.00  0.00           C  
HETATM   21  C15 UNL     1      -0.427  -2.233  -0.423  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.109  -1.003  -0.429  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.460  -1.087  -0.602  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.446  -0.157  -0.665  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.390  -0.409   0.376  1.00  0.00           O  
HETATM   26  C18 UNL     1      -5.333   0.613   0.268  1.00  0.00           C  
HETATM   27  C19 UNL     1      -5.910   0.988   1.561  1.00  0.00           C  
HETATM   28  O9  UNL     1      -5.557   0.417   2.616  1.00  0.00           O  
HETATM   29  O10 UNL     1      -6.861   1.987   1.627  1.00  0.00           O  
HETATM   30  C20 UNL     1      -6.396   0.089  -0.697  1.00  0.00           C  
HETATM   31  O11 UNL     1      -7.189   1.089  -1.203  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.649  -0.689  -1.757  1.00  0.00           C  
HETATM   33  O12 UNL     1      -5.623  -2.042  -1.515  1.00  0.00           O  
HETATM   34  C22 UNL     1      -4.249  -0.192  -1.960  1.00  0.00           C  
HETATM   35  O13 UNL     1      -4.299   1.039  -2.591  1.00  0.00           O  
HETATM   36  H1  UNL     1      -0.051   2.685   0.953  1.00  0.00           H  
HETATM   37  H2  UNL     1       0.468   2.774  -0.813  1.00  0.00           H  
HETATM   38  H3  UNL     1      -1.122   3.384  -0.272  1.00  0.00           H  
HETATM   39  H4  UNL     1       1.590   0.969   0.034  1.00  0.00           H  
HETATM   40  H5  UNL     1       4.876   2.393   0.540  1.00  0.00           H  
HETATM   41  H6  UNL     1       7.646   3.530   0.009  1.00  0.00           H  
HETATM   42  H7  UNL     1       8.787   0.893   0.928  1.00  0.00           H  
HETATM   43  H8  UNL     1       9.062  -1.622   0.796  1.00  0.00           H  
HETATM   44  H9  UNL     1       4.041  -4.296  -0.006  1.00  0.00           H  
HETATM   45  H10 UNL     1       1.440  -3.254  -0.256  1.00  0.00           H  
HETATM   46  H11 UNL     1      -0.968  -3.160  -0.550  1.00  0.00           H  
HETATM   47  H12 UNL     1      -3.124   0.892  -0.559  1.00  0.00           H  
HETATM   48  H13 UNL     1      -4.893   1.511  -0.257  1.00  0.00           H  
HETATM   49  H14 UNL     1      -6.638   2.966   1.732  1.00  0.00           H  
HETATM   50  H15 UNL     1      -6.990  -0.652  -0.111  1.00  0.00           H  
HETATM   51  H16 UNL     1      -6.706   1.950  -1.257  1.00  0.00           H  
HETATM   52  H17 UNL     1      -6.193  -0.527  -2.710  1.00  0.00           H  
HETATM   53  H18 UNL     1      -4.756  -2.255  -1.075  1.00  0.00           H  
HETATM   54  H19 UNL     1      -3.729  -0.913  -2.622  1.00  0.00           H  
HETATM   55  H20 UNL     1      -5.124   1.198  -3.087  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4    4   22
CONECT    4    5   39
CONECT    5    6   20   20
CONECT    6    7   18   18
CONECT    7    8
CONECT    8    9    9   15
CONECT    9   10   40
CONECT   10   11   12   12
CONECT   11   41
CONECT   12   13   42
CONECT   13   14   15   15
CONECT   14   43
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   44
CONECT   20   21   45
CONECT   21   22   22   46
CONECT   22   23
CONECT   23   24
CONECT   24   25   34   47
CONECT   25   26
CONECT   26   27   30   48
CONECT   27   28   28   29
CONECT   29   49
CONECT   30   31   32   50
CONECT   31   51
CONECT   32   33   34   52
CONECT   33   53
CONECT   34   35   54
CONECT   35   55
END
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SMILES for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
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INCHI for HMDB0041757 (Isorhamnetin 4'-O-glucuronide)

InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1
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Synonyms
ValueSource
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylateHMDB
Chemical FormulaC22H20O13
Average Molecular Weight492.3864
Monoisotopic Molecular Weight492.090390726
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Identifier
InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1
InChI KeyNCHMCZDLVWDQLC-YWQONGFDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-4p-o-glucuronide
  • 3-hydroxyflavone
  • 3p-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • Flavone
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • Phenolic glycoside
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • O-glycosyl compound
  • Chromone
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Methoxybenzene
  • Anisole
  • Phenol ether
  • Phenoxy compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • Beta-hydroxy acid
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic oxygen compound
  • Alcohol
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.23 g/LALOGPS
logP1.02ALOGPS
logP0.35ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)3.06ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area212.67 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.36 m³·mol⁻¹ChemAxon
Polarizability45.9 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+204.85230932474
DeepCCS[M-H]-203.02730932474
DeepCCS[M-2H]-236.2730932474
DeepCCS[M+Na]+210.45830932474
AllCCS[M+H]+210.532859911
AllCCS[M+H-H2O]+208.332859911
AllCCS[M+NH4]+212.432859911
AllCCS[M+Na]+213.032859911
AllCCS[M-H]-207.632859911
AllCCS[M+Na-2H]-208.332859911
AllCCS[M+HCOO]-209.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 4'-O-glucuronideCOC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O15952.2Standard polar33892256
Isorhamnetin 4'-O-glucuronideCOC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O14132.6Standard non polar33892256
Isorhamnetin 4'-O-glucuronideCOC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O14521.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4357.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4344.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4361.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4322.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #5COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4293.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4354.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4411.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4287.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4228.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #11COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4254.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #12COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4285.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #13COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4238.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #14COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4197.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #15COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4249.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #16COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4276.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #17COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4219.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #18COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4164.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #19COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4210.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4239.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #20COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4188.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #21COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4246.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4211.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4252.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4257.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4270.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4261.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #8COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4215.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4187.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4143.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #10COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4145.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #11COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4144.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #12COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4164.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #13COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4201.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #14COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4216.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #15COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4213.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #16COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4123.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #17COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4094.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #18COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4162.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #19COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4177.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #2COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4132.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #20COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4078.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #21COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4113.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #22COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4138.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #23COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4105.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #24COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4135.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #25COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4190.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #26COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4143.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #27COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4120.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #28COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4194.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #29COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4102.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4205.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #30COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4142.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #31COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4139.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #32COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4176.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #33COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4121.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #34COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4095.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #35COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4116.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4182.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4201.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #6COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4113.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4152.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #8COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4142.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TMS,isomer #9COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4161.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #1COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4086.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4149.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #11COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4073.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #12COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4061.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #13COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4077.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #14COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4100.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #15COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4128.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #16COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4119.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #17COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4109.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #18COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4138.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #19COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4130.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4117.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #20COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4189.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #21COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4064.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #22COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4088.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #23COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4093.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #24COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4059.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #25COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4080.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #26COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4131.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #27COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4030.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #28COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4056.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #29COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4096.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4095.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #30COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4102.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #31COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4077.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #32COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4116.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #33COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4101.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #34COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4067.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #35COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4097.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4114.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #5COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4112.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #6COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4084.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #7COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4099.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #8COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4139.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,4TMS,isomer #9COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4166.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #1COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4088.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4146.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #11COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4046.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #12COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4077.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #13COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4063.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #14COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4111.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #15COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4125.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #16COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O4059.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #17COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4061.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #18COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4089.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #19COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4070.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #2COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4069.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #20COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4045.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #21COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4080.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4077.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4094.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4116.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4100.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #7COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4070.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #8COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4101.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,5TMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4088.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4604.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4590.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4609.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4631.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #5COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4590.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4586.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,1TBDMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4631.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4709.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4696.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #11COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4693.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #12COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4718.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #13COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4672.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #14COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4664.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #15COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4718.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #16COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4749.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #17COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4701.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #18COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4688.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #19COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4683.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4664.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #20COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4664.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #21COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4725.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4661.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4720.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4689.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4702.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4690.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #8COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4646.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,2TBDMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4636.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4867.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #10COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4795.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #11COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4737.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #12COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4756.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #13COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4820.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #14COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4854.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #15COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4816.4Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #16COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4861.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #17COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4761.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #18COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4846.1Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #19COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4827.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #2COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4773.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #20COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4735.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #21COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4792.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #22COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4774.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #23COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4754.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #24COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4735.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #25COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4819.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #26COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4874.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #27COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4783.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #28COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4867.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #29COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4754.0Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4864.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #30COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4817.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #31COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4794.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #32COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4887.3Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #33COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4819.5Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #34COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O4793.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #35COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4827.8Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4826.9Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4839.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #6COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4746.7Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4811.2Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #8COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4773.6Semi standard non polar33892256
Isorhamnetin 4'-O-glucuronide,3TBDMS,isomer #9COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4784.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 4'-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-05y3-9006500000-8a4f562dff3f10d4afce2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 4'-O-glucuronide GC-MS (2 TMS) - 70eV, Positivesplash10-05fr-9511218000-8d504fa2279921ef2af22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 4'-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 10V, Positive-QTOFsplash10-016r-0037900000-45d3eeb51c8cd1c82eb62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 20V, Positive-QTOFsplash10-014i-0169100000-c203b70cccba15614cef2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 40V, Positive-QTOFsplash10-0fya-0943000000-1a3eb9e06507ca21534a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 10V, Negative-QTOFsplash10-00kf-1204900000-066f232a675d5b5ce5cf2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 20V, Negative-QTOFsplash10-014j-2369700000-e54874d050b380e489652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 40V, Negative-QTOFsplash10-016s-5986000000-a31eb3e41d9fc393ac232017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 10V, Negative-QTOFsplash10-0006-0000900000-ce2e8168830690111a042021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 20V, Negative-QTOFsplash10-0006-0510900000-7d43b62879bd9e643a562021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 40V, Negative-QTOFsplash10-0gbj-2953300000-f7a40696a174ac2913732021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 10V, Positive-QTOFsplash10-0006-0000900000-3656722d376870dae01d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 20V, Positive-QTOFsplash10-0006-0000900000-9654291697d82ffd7a092021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 4'-O-glucuronide 40V, Positive-QTOFsplash10-0uxu-2910200000-a8634ff2f10f285351302021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 822 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 822 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 822 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 822 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029927
KNApSAcK IDNot Available
Chemspider ID30777641
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound57331044
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]