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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:42:08 UTC

Update Date

2022-03-07 02:55:20 UTC

HMDB ID

HMDB0037452

Secondary Accession Numbers

HMDB37452

Metabolite Identification

Common Name

Diosmetin 7-O-beta-D-glucuronopyranoside

Description

Diosmetin 7-O-beta-D-glucuronopyranoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Diosmetin 7-O-beta-D-glucuronopyranoside has been detected, but not quantified in, a few different foods, such as fats and oils, spearmints (Mentha spicata), and sweet marjorams (Origanum majorana). This could make diosmetin 7-O-beta-D-glucuronopyranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Diosmetin 7-O-beta-D-glucuronopyranoside.

Structure

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


  Mrv0541 05061309472D          

 34 37  0  0  0  0            999 V2000
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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   -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
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 16 12  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  2  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 21  2  0  0  0  0
 30 21  1  0  0  0  0
 31  1  1  0  0  0  0
 31 13  1  0  0  0  0
 32  9  1  0  0  0  0
 32 22  1  0  0  0  0
 33 14  1  0  0  0  0
 33 15  1  0  0  0  0
 34 20  1  0  0  0  0
 34 22  1  0  0  0  0
M  END

HMDB0037452
     RDKit          3D
Diosmetin 7-O-beta-D-glucuronopyranoside
 54 57  0  0  0  0  0  0  0  0999 V2000
    8.1874   -0.0200   -3.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800   -0.8963   -1.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   -1.0398   -1.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286   -0.3358   -1.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -0.4765   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290   -1.3243   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -1.4240    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -2.2527    1.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090   -2.3667    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151   -3.1224    3.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.6213    1.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -1.6552    2.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -2.4411    3.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935   -0.8536    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -0.0468    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    0.7615   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100    0.8970    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6011    0.4983   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8269    1.0528   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7055    0.6604    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9056    1.0989    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3296   -0.1723    1.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8705    2.5563   -1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0448    2.9127   -2.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    3.0568   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772    4.4179   -0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    2.3196    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838    2.9396    1.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -0.0273    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7642   -0.7983    0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884   -0.7343    0.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -2.0098    0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738   -1.8830   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7860   -2.5816    0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1971   -0.1364   -3.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9981    1.0028   -2.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4308   -0.2508   -3.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    0.3170   -2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    0.0822   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -2.8629    2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866   -3.0609    3.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847   -0.9194    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.2102    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3361    0.6335   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0789   -1.1435    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5996    3.0029   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368    3.9088   -2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.7383   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8099    4.8222   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166    2.2739    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    2.8208    2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051    0.6126   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583   -2.6720    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6586   -3.1995    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 15 29  1  0
 29 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 27 17  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 17 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 32 53  1  0
 34 54  1  0
M  END


  Mrv0541 05061309472D          

 34 37  0  0  0  0            999 V2000
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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   -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
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 16 12  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  2  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 21  2  0  0  0  0
 30 21  1  0  0  0  0
 31  1  1  0  0  0  0
 31 13  1  0  0  0  0
 32  9  1  0  0  0  0
 32 22  1  0  0  0  0
 33 14  1  0  0  0  0
 33 15  1  0  0  0  0
 34 20  1  0  0  0  0
 34 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037452

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)

> <INCHI_KEY>
XCKMDTYMOHXUHG-UHFFFAOYSA-N

> <FORMULA>
C22H20O12

> <MOLECULAR_WEIGHT>
476.387

> <EXACT_MASS>
476.095476104

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.37030906256939

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.09

> <JCHEM_LOGP>
0.6012243126666668

> <ALOGPS_LOGS>
-2.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.47570134560977

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.73920901163869

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686826778068572

> <JCHEM_POLAR_SURFACE_AREA>
192.43999999999997

> <JCHEM_REFRACTIVITY>
111.38889999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.05e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037452
     RDKit          3D
Diosmetin 7-O-beta-D-glucuronopyranoside
 54 57  0  0  0  0  0  0  0  0999 V2000
    8.1874   -0.0200   -3.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800   -0.8963   -1.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   -1.0398   -1.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286   -0.3358   -1.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -0.4765   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290   -1.3243   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -1.4240    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -2.2527    1.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090   -2.3667    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151   -3.1224    3.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.6213    1.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -1.6552    2.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -2.4411    3.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935   -0.8536    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -0.0468    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    0.7615   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100    0.8970    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6011    0.4983   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8269    1.0528   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7055    0.6604    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9056    1.0989    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3296   -0.1723    1.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8705    2.5563   -1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0448    2.9127   -2.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    3.0568   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772    4.4179   -0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    2.3196    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838    2.9396    1.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -0.0273    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7642   -0.7983    0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884   -0.7343    0.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -2.0098    0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738   -1.8830   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7860   -2.5816    0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1971   -0.1364   -3.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9981    1.0028   -2.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4308   -0.2508   -3.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    0.3170   -2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    0.0822   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -2.8629    2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866   -3.0609    3.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847   -0.9194    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.2102    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3361    0.6335   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0789   -1.1435    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5996    3.0029   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368    3.9088   -2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.7383   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8099    4.8222   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166    2.2739    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    2.8208    2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051    0.6126   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583   -2.6720    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6586   -3.1995    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 15 29  1  0
 29 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 27 17  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 17 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 32 53  1  0
 34 54  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      14.671  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   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      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  -3.080   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       4.001  -5.390   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  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1   31                                                            
CONECT    2    3    8                                                       
CONECT    3    2   13                                                       
CONECT    4    8   10                                                       
CONECT    5    9   11                                                       
CONECT    6    9   15                                                       
CONECT    7   12   14                                                       
CONECT    8    2    4   14                                                  
CONECT    9    5    6   32                                                  
CONECT   10    4   13   23                                                  
CONECT   11    5   16   24                                                  
CONECT   12    7   16   25                                                  
CONECT   13    3   10   31                                                  
CONECT   14    7    8   33                                                  
CONECT   15    6   16   33                                                  
CONECT   16   11   12   15                                                  
CONECT   17   18   19   26                                                  
CONECT   18   17   20   27                                                  
CONECT   19   17   22   28                                                  
CONECT   20   18   21   34                                                  
CONECT   21   20   29   30                                                  
CONECT   22   19   32   34                                                  
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29   21                                                            
CONECT   30   21                                                            
CONECT   31    1   13                                                       
CONECT   32    9   22                                                       
CONECT   33   14   15                                                       
CONECT   34   20   22                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

COMPND    HMDB0037452
HETATM    1  C1  UNL     1       8.187  -0.020  -3.055  1.00  0.00           C  
HETATM    2  O1  UNL     1       8.080  -0.896  -1.952  1.00  0.00           O  
HETATM    3  C2  UNL     1       6.833  -1.040  -1.328  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.729  -0.336  -1.782  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.493  -0.477  -1.166  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.329  -1.324  -0.081  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.006  -1.424   0.523  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.762  -2.253   1.595  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.509  -2.367   2.189  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.315  -3.122   3.156  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.479  -1.621   1.683  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.800  -1.655   2.193  1.00  0.00           C  
HETATM   13  O3  UNL     1      -1.130  -2.441   3.245  1.00  0.00           O  
HETATM   14  C11 UNL     1      -1.793  -0.854   1.607  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.532  -0.047   0.555  1.00  0.00           C  
HETATM   16  O4  UNL     1      -2.473   0.761  -0.057  1.00  0.00           O  
HETATM   17  C13 UNL     1      -3.810   0.897   0.264  1.00  0.00           C  
HETATM   18  O5  UNL     1      -4.601   0.498  -0.780  1.00  0.00           O  
HETATM   19  C14 UNL     1      -5.827   1.053  -0.932  1.00  0.00           C  
HETATM   20  C15 UNL     1      -6.705   0.660   0.195  1.00  0.00           C  
HETATM   21  O6  UNL     1      -7.906   1.099   0.256  1.00  0.00           O  
HETATM   22  O7  UNL     1      -6.330  -0.172   1.231  1.00  0.00           O  
HETATM   23  C16 UNL     1      -5.871   2.556  -1.057  1.00  0.00           C  
HETATM   24  O8  UNL     1      -6.045   2.913  -2.377  1.00  0.00           O  
HETATM   25  C17 UNL     1      -4.480   3.057  -0.645  1.00  0.00           C  
HETATM   26  O9  UNL     1      -4.477   4.418  -0.408  1.00  0.00           O  
HETATM   27  C18 UNL     1      -4.180   2.320   0.641  1.00  0.00           C  
HETATM   28  O10 UNL     1      -3.184   2.940   1.380  1.00  0.00           O  
HETATM   29  C19 UNL     1      -0.237  -0.027   0.057  1.00  0.00           C  
HETATM   30  C20 UNL     1       0.764  -0.798   0.603  1.00  0.00           C  
HETATM   31  O11 UNL     1       1.988  -0.734   0.078  1.00  0.00           O  
HETATM   32  C21 UNL     1       5.433  -2.010   0.351  1.00  0.00           C  
HETATM   33  C22 UNL     1       6.674  -1.883  -0.250  1.00  0.00           C  
HETATM   34  O12 UNL     1       7.786  -2.582   0.195  1.00  0.00           O  
HETATM   35  H1  UNL     1       9.197  -0.136  -3.489  1.00  0.00           H  
HETATM   36  H2  UNL     1       7.998   1.003  -2.676  1.00  0.00           H  
HETATM   37  H3  UNL     1       7.431  -0.251  -3.842  1.00  0.00           H  
HETATM   38  H4  UNL     1       5.890   0.317  -2.632  1.00  0.00           H  
HETATM   39  H5  UNL     1       3.656   0.082  -1.541  1.00  0.00           H  
HETATM   40  H6  UNL     1       3.562  -2.863   2.024  1.00  0.00           H  
HETATM   41  H7  UNL     1      -0.687  -3.061   3.818  1.00  0.00           H  
HETATM   42  H8  UNL     1      -2.785  -0.919   2.049  1.00  0.00           H  
HETATM   43  H9  UNL     1      -4.058   0.210   1.120  1.00  0.00           H  
HETATM   44  H10 UNL     1      -6.336   0.634  -1.852  1.00  0.00           H  
HETATM   45  H11 UNL     1      -6.079  -1.143   1.114  1.00  0.00           H  
HETATM   46  H12 UNL     1      -6.600   3.003  -0.370  1.00  0.00           H  
HETATM   47  H13 UNL     1      -6.137   3.909  -2.396  1.00  0.00           H  
HETATM   48  H14 UNL     1      -3.741   2.738  -1.400  1.00  0.00           H  
HETATM   49  H15 UNL     1      -3.810   4.822  -1.023  1.00  0.00           H  
HETATM   50  H16 UNL     1      -5.117   2.274   1.229  1.00  0.00           H  
HETATM   51  H17 UNL     1      -3.383   2.821   2.358  1.00  0.00           H  
HETATM   52  H18 UNL     1      -0.005   0.613  -0.787  1.00  0.00           H  
HETATM   53  H19 UNL     1       5.358  -2.672   1.179  1.00  0.00           H  
HETATM   54  H20 UNL     1       7.659  -3.200   0.989  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3
CONECT    3    4    4   33
CONECT    4    5   38
CONECT    5    6    6   39
CONECT    6    7   32
CONECT    7    8    8   31
CONECT    8    9   40
CONECT    9   10   10   11
CONECT   11   12   12   30
CONECT   12   13   14
CONECT   13   41
CONECT   14   15   15   42
CONECT   15   16   29
CONECT   16   17
CONECT   17   18   27   43
CONECT   18   19
CONECT   19   20   23   44
CONECT   20   21   21   22
CONECT   22   45
CONECT   23   24   25   46
CONECT   24   47
CONECT   25   26   27   48
CONECT   26   49
CONECT   27   28   50
CONECT   28   51
CONECT   29   30   30   52
CONECT   30   31
CONECT   32   33   33   53
CONECT   33   34
CONECT   34   54
END

HMDB0037452
     RDKit          3D
Diosmetin 7-O-beta-D-glucuronopyranoside
 54 57  0  0  0  0  0  0  0  0999 V2000
    8.1874   -0.0200   -3.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800   -0.8963   -1.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   -1.0398   -1.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286   -0.3358   -1.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -0.4765   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290   -1.3243   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -1.4240    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -2.2527    1.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090   -2.3667    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151   -3.1224    3.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -1.6213    1.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -1.6552    2.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -2.4411    3.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935   -0.8536    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -0.0468    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    0.7615   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100    0.8970    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6011    0.4983   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8269    1.0528   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7055    0.6604    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9056    1.0989    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3296   -0.1723    1.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8705    2.5563   -1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0448    2.9127   -2.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    3.0568   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772    4.4179   -0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    2.3196    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838    2.9396    1.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -0.0273    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7642   -0.7983    0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884   -0.7343    0.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -2.0098    0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738   -1.8830   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7860   -2.5816    0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1971   -0.1364   -3.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9981    1.0028   -2.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4308   -0.2508   -3.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    0.3170   -2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    0.0822   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -2.8629    2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866   -3.0609    3.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847   -0.9194    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.2102    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3361    0.6335   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0789   -1.1435    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5996    3.0029   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368    3.9088   -2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.7383   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8099    4.8222   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166    2.2739    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    2.8208    2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0051    0.6126   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583   -2.6720    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6586   -3.1995    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 15 29  1  0
 29 30  2  0
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33 34  1  0
 33  3  1  0
 31  7  1  0
 30 11  1  0
 27 17  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  4 38  1  0
  5 39  1  0
  8 40  1  0
 13 41  1  0
 14 42  1  0
 17 43  1  0
 19 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 32 53  1  0
 34 54  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Diosmetin 7-O-b-D-glucuronopyranoside	Generator
Diosmetin 7-O-β-D-glucuronopyranoside	Generator
3',5,7-Trihydroxy-4'-methoxyflavone	HMDB
7-O-b-D-Glucuronopyranoside	HMDB
Luteolin 4'-methyl ether 7-glucuronide	HMDB
3,4,5-Trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate	Generator

Chemical Formula

C₂₂H₂₀O₁₂

Average Molecular Weight

476.387

Monoisotopic Molecular Weight

476.095476104

IUPAC Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

Traditional Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

35110-20-4

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1

InChI Identifier

InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)

InChI Key

XCKMDTYMOHXUHG-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
Flavonoid c-glycoside
Flavonoid-8-c-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Phenolic glycoside
Chromone
C-glycosyl compound
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Pyran
Monosaccharide
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Primary alcohol
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037452)
Cytoplasm (HMDB: HMDB0037452)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037452)

Source

Endogenous

Endogenous (HMDB: HMDB0037452)

Plant

Plant (HMDB: HMDB0037452)

Exogenous

Food

Food (HMDB: HMDB0037452)

Herb and spice

Herb

Sweet marjoram (FooDB: FOOD00122)
Spearmint (FooDB: FOOD00112)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Not Available

Nutrient (HMDB: HMDB0037452)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.05 g/L	ALOGPS
logP	1.09	ALOGPS
logP	0.6	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	2.74	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	192.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	111.39 m³·mol⁻¹	ChemAxon
Polarizability	45.37 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	200.908	30932474
DeepCCS	[M-H]-	198.513	30932474
DeepCCS	[M-2H]-	231.418	30932474
DeepCCS	[M+Na]+	206.821	30932474
AllCCS	[M+H]+	208.5	32859911
AllCCS	[M+H-H2O]+	206.2	32859911
AllCCS	[M+NH4]+	210.5	32859911
AllCCS	[M+Na]+	211.1	32859911
AllCCS	[M-H]-	205.1	32859911
AllCCS	[M+Na-2H]-	205.7	32859911
AllCCS	[M+HCOO]-	206.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Diosmetin 7-O-beta-D-glucuronopyranoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	5842.5	Standard polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	4277.3	Standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	4634.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4546.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O	4543.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4551.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4581.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4570.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	4511.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4343.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4366.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4385.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4389.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4383.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4396.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4380.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4343.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4351.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4360.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4380.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	4356.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4328.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4382.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4361.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4210.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4253.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4233.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4258.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4236.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4217.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4216.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4236.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4255.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4275.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4259.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4170.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4250.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4218.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4206.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4226.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4221.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4246.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4236.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4252.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4150.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4182.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4167.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4198.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4161.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4161.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4214.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4160.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4143.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4138.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4139.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4148.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4180.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4209.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,4TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4178.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4121.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4157.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4110.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4115.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4167.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,5TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4136.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4810.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O	4830.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	4871.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	4906.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4891.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	4837.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4836.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	4901.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	4943.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4952.4	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	4930.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4974.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4906.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4838.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4839.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4878.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4868.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	4879.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	4887.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	4959.5	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4902.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4943.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4958.2	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	4993.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5030.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4987.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5008.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4999.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5028.6	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	4994.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5011.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5004.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4915.9	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4997.7	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4978.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4932.1	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4925.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4947.8	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4938.3	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4930.0	Semi standard non polar	33892256
Diosmetin 7-O-beta-D-glucuronopyranoside,3TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4934.0	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 - Diosmetin 7-O-beta-D-glucuronopyranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9207400000-b4929858f5b9a6fa3cdb	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside GC-MS (3 TMS) - 70eV, Positive	splash10-004i-5510139000-4b84b189db81ac4e011d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 6V, Positive-QTOF	splash10-0udi-0019200000-2132f64711a0688ca942	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 10V, Negative-QTOF	splash10-004j-1140900000-cb4ae838ad0f763c9525	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 20V, Negative-QTOF	splash10-000t-1190300000-1854ae90827d976e6e39	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 40V, Negative-QTOF	splash10-001j-2090000000-154d4a9113de4e1dcae8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 10V, Negative-QTOF	splash10-004i-0000900000-7a0023309b90bba62f10	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 20V, Negative-QTOF	splash10-03di-0000900000-0b811ae1b89e77c49a1d	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 40V, Negative-QTOF	splash10-004i-0041900000-b05ed0b5243e2e0c042c	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 10V, Positive-QTOF	splash10-0zfr-0006900000-43ad1d516debfa417d28	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 20V, Positive-QTOF	splash10-0udi-0129100000-99df7c9bc8f087c175d8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 40V, Positive-QTOF	splash10-0f79-2294000000-00a38958144bfed1dd7b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 10V, Positive-QTOF	splash10-004i-0000900000-738e9250151f787f2d76	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 20V, Positive-QTOF	splash10-004i-0000900000-12783e5e541773cfc7bf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmetin 7-O-beta-D-glucuronopyranoside 40V, Positive-QTOF	splash10-001i-0001900000-4013a6635f8a524ee74e	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016511

KNApSAcK ID

C00004358

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74977725

PDB ID

Not Available

ChEBI ID

172703

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Diosmetin 7-O-beta-D-glucuronopyranoside (HMDB0037452)

MOL for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

3D MOL for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

3D SDF for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

3D-SDF for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

PDB for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

3D PDB for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

SMILES for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

INCHI for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

Structure for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

3D Structure for HMDB0037452 (Diosmetin 7-O-beta-D-glucuronopyranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra