Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:49:07 UTC

Update Date

2022-03-07 02:55:24 UTC

HMDB ID

HMDB0037567

Secondary Accession Numbers

HMDB37567

Metabolite Identification

Common Name

6-beta-D-Glucopyranosyldiosmetin

Description

6-beta-D-Glucopyranosyldiosmetin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 6-beta-D-Glucopyranosyldiosmetin has been detected, but not quantified in, citrus and lemons (Citrus limon). This could make 6-beta-D-glucopyranosyldiosmetin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6-beta-D-Glucopyranosyldiosmetin.

Structure

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

  Mrv0541 05061309512D          

 33 36  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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
   -0.7145    2.0625    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
    5.0013    2.0625    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
    0.0000    2.4750    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
   -2.8579    0.0000    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    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
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    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  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
 31  1  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 32 14  1  0  0  0  0
 33 15  1  0  0  0  0
 33 22  1  0  0  0  0
M  END

HMDB0037567
     RDKit          3D
6-beta-D-Glucopyranosyldiosmetin
 55 58  0  0  0  0  0  0  0  0999 V2000
    9.6185    0.3523   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5315   -0.2356    0.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092   -0.1604    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476    0.5041   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3708    0.5250   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778   -0.1105   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534   -0.0666   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    0.4238   -1.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    0.4351   -1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    0.8849   -2.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -0.0479   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085   -0.0415   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    0.4561   -2.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127   -0.5028    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3786   -0.5278   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.0225   -1.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3753    0.0559   -0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2781   -0.0129   -2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1377   -1.2397   -2.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5185    1.3358   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369    1.7063    0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    1.1379    1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5253    1.2393    2.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -0.1665    1.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6163   -1.2127    1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -0.9943    1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -1.5031    2.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -1.0038    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -0.5338    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054   -0.5185    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526   -0.7660    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040   -0.8131    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568   -1.4879    2.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3862   -0.3884   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1104    1.0158    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048    1.0172   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4258    1.0093   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964    1.0791   -2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1037    0.7907   -2.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    0.5668   -2.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.6858   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974   -0.8105   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0918    0.8345   -2.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3254    0.0315   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4031   -1.9477   -2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350    2.1203   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0810    2.4091   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037    2.0022    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8151    2.1865    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110    0.1365    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -0.8985    2.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -1.8847    3.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -1.3881    2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -1.2926    1.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885   -1.9916    2.8556 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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 30  7  1  0
 29 11  1  0
 24 15  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  4 37  1  0
  5 38  1  0
  8 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 27 52  1  0
 28 53  1  0
 31 54  1  0
 33 55  1  0
M  END

  Mrv0541 05061309512D          

 33 36  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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
   -0.7145    2.0625    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
    5.0013    2.0625    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
    0.0000    2.4750    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
   -2.8579    0.0000    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    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
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    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  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
 31  1  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 32 14  1  0  0  0  0
 33 15  1  0  0  0  0
 33 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037567

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3

> <INCHI_KEY>
ADVFPEKLSDNTRV-UHFFFAOYSA-N

> <FORMULA>
C22H22O11

> <MOLECULAR_WEIGHT>
462.4035

> <EXACT_MASS>
462.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
45.66968058942281

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
-0.20830303699999958

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.809086804981058

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.197767423787099

> <JCHEM_PKA_STRONGEST_BASIC>
-2.979192626943843

> <JCHEM_POLAR_SURFACE_AREA>
186.36999999999998

> <JCHEM_REFRACTIVITY>
112.49539999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037567
     RDKit          3D
6-beta-D-Glucopyranosyldiosmetin
 55 58  0  0  0  0  0  0  0  0999 V2000
    9.6185    0.3523   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5315   -0.2356    0.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092   -0.1604    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476    0.5041   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3708    0.5250   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778   -0.1105   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534   -0.0666   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    0.4238   -1.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    0.4351   -1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    0.8849   -2.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -0.0479   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085   -0.0415   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    0.4561   -2.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127   -0.5028    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3786   -0.5278   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.0225   -1.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3753    0.0559   -0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2781   -0.0129   -2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1377   -1.2397   -2.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5185    1.3358   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369    1.7063    0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    1.1379    1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5253    1.2393    2.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -0.1665    1.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6163   -1.2127    1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -0.9943    1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -1.5031    2.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -1.0038    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -0.5338    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054   -0.5185    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526   -0.7660    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040   -0.8131    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568   -1.4879    2.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3862   -0.3884   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1104    1.0158    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048    1.0172   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4258    1.0093   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964    1.0791   -2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1037    0.7907   -2.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    0.5668   -2.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.6858   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974   -0.8105   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0918    0.8345   -2.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3254    0.0315   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4031   -1.9477   -2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350    2.1203   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0810    2.4091   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037    2.0022    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8151    2.1865    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110    0.1365    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -0.8985    2.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -1.8847    3.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -1.3881    2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -1.2926    1.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885   -1.9916    2.8556 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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 30  7  1  0
 29 11  1  0
 24 15  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  4 37  1  0
  5 38  1  0
  8 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 27 52  1  0
 28 53  1  0
 31 54  1  0
 33 55  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      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   4.620   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      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.668   8.470   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      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
CONECT    1   31                                                            
CONECT    2    3    8                                                       
CONECT    3    2   12                                                       
CONECT    4    8    9                                                       
CONECT    5   10   13                                                       
CONECT    6   11   14                                                       
CONECT    7   15   23                                                       
CONECT    8    2    4   13                                                  
CONECT    9    4   12   24                                                  
CONECT   10    5   16   25                                                  
CONECT   11    6   17   26                                                  
CONECT   12    3    9   31                                                  
CONECT   13    5    8   32                                                  
CONECT   14    6   16   32                                                  
CONECT   15    7   18   33                                                  
CONECT   16   10   14   19                                                  
CONECT   17   11   19   22                                                  
CONECT   18   15   20   27                                                  
CONECT   19   16   17   28                                                  
CONECT   20   18   21   29                                                  
CONECT   21   20   22   30                                                  
CONECT   22   17   21   33                                                  
CONECT   23    7                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   11                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29   20                                                            
CONECT   30   21                                                            
CONECT   31    1   12                                                       
CONECT   32   13   14                                                       
CONECT   33   15   22                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0037567
HETATM    1  C1  UNL     1       9.619   0.352  -0.050  1.00  0.00           C  
HETATM    2  O1  UNL     1       8.532  -0.236   0.617  1.00  0.00           O  
HETATM    3  C2  UNL     1       7.209  -0.160   0.253  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.748   0.504  -0.852  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.371   0.525  -1.139  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.478  -0.110  -0.329  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.053  -0.067  -0.595  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.480   0.424  -1.749  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.094   0.435  -1.920  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.612   0.885  -2.982  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.296  -0.048  -0.922  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.109  -0.042  -1.014  1.00  0.00           C  
HETATM   13  O3  UNL     1      -1.622   0.456  -2.178  1.00  0.00           O  
HETATM   14  C11 UNL     1      -1.913  -0.503   0.001  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.379  -0.528  -0.091  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.001  -0.023  -1.170  1.00  0.00           O  
HETATM   17  C13 UNL     1      -5.375   0.056  -0.872  1.00  0.00           C  
HETATM   18  C14 UNL     1      -6.278  -0.013  -2.047  1.00  0.00           C  
HETATM   19  O5  UNL     1      -6.138  -1.240  -2.704  1.00  0.00           O  
HETATM   20  C15 UNL     1      -5.519   1.336  -0.080  1.00  0.00           C  
HETATM   21  O6  UNL     1      -6.837   1.706   0.099  1.00  0.00           O  
HETATM   22  C16 UNL     1      -4.747   1.138   1.184  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.525   1.239   2.325  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.957  -0.166   1.261  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.616  -1.213   1.835  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.253  -0.994   1.139  1.00  0.00           C  
HETATM   27  O9  UNL     1      -1.963  -1.503   2.201  1.00  0.00           O  
HETATM   28  C19 UNL     1       0.102  -1.004   1.235  1.00  0.00           C  
HETATM   29  C20 UNL     1       0.900  -0.534   0.227  1.00  0.00           C  
HETATM   30  O10 UNL     1       2.205  -0.518   0.320  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.953  -0.766   0.760  1.00  0.00           C  
HETATM   32  C22 UNL     1       6.304  -0.813   1.082  1.00  0.00           C  
HETATM   33  O11 UNL     1       6.757  -1.488   2.193  1.00  0.00           O  
HETATM   34  H1  UNL     1      10.386  -0.388  -0.357  1.00  0.00           H  
HETATM   35  H2  UNL     1      10.110   1.016   0.730  1.00  0.00           H  
HETATM   36  H3  UNL     1       9.305   1.017  -0.852  1.00  0.00           H  
HETATM   37  H4  UNL     1       7.426   1.009  -1.506  1.00  0.00           H  
HETATM   38  H5  UNL     1       5.096   1.079  -2.028  1.00  0.00           H  
HETATM   39  H6  UNL     1       3.104   0.791  -2.529  1.00  0.00           H  
HETATM   40  H7  UNL     1      -2.511   0.567  -2.500  1.00  0.00           H  
HETATM   41  H8  UNL     1      -3.581  -1.686  -0.188  1.00  0.00           H  
HETATM   42  H9  UNL     1      -5.597  -0.810  -0.185  1.00  0.00           H  
HETATM   43  H10 UNL     1      -6.092   0.834  -2.744  1.00  0.00           H  
HETATM   44  H11 UNL     1      -7.325   0.031  -1.657  1.00  0.00           H  
HETATM   45  H12 UNL     1      -6.403  -1.948  -2.039  1.00  0.00           H  
HETATM   46  H13 UNL     1      -5.035   2.120  -0.709  1.00  0.00           H  
HETATM   47  H14 UNL     1      -7.081   2.409  -0.585  1.00  0.00           H  
HETATM   48  H15 UNL     1      -4.004   2.002   1.257  1.00  0.00           H  
HETATM   49  H16 UNL     1      -5.815   2.187   2.448  1.00  0.00           H  
HETATM   50  H17 UNL     1      -3.111   0.136   1.950  1.00  0.00           H  
HETATM   51  H18 UNL     1      -4.912  -0.899   2.751  1.00  0.00           H  
HETATM   52  H19 UNL     1      -1.522  -1.885   3.057  1.00  0.00           H  
HETATM   53  H20 UNL     1       0.632  -1.388   2.118  1.00  0.00           H  
HETATM   54  H21 UNL     1       4.260  -1.293   1.438  1.00  0.00           H  
HETATM   55  H22 UNL     1       6.189  -1.992   2.856  1.00  0.00           H  
CONECT    1    2   34   35   36
CONECT    2    3
CONECT    3    4    4   32
CONECT    4    5   37
CONECT    5    6    6   38
CONECT    6    7   31
CONECT    7    8    8   30
CONECT    8    9   39
CONECT    9   10   10   11
CONECT   11   12   12   29
CONECT   12   13   14
CONECT   13   40
CONECT   14   15   26   26
CONECT   15   16   24   41
CONECT   16   17
CONECT   17   18   20   42
CONECT   18   19   43   44
CONECT   19   45
CONECT   20   21   22   46
CONECT   21   47
CONECT   22   23   24   48
CONECT   23   49
CONECT   24   25   50
CONECT   25   51
CONECT   26   27   28
CONECT   27   52
CONECT   28   29   29   53
CONECT   29   30
CONECT   31   32   32   54
CONECT   32   33
CONECT   33   55
END

HMDB0037567
     RDKit          3D
6-beta-D-Glucopyranosyldiosmetin
 55 58  0  0  0  0  0  0  0  0999 V2000
    9.6185    0.3523   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5315   -0.2356    0.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092   -0.1604    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476    0.5041   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3708    0.5250   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4778   -0.1105   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534   -0.0666   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    0.4238   -1.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    0.4351   -1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    0.8849   -2.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -0.0479   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085   -0.0415   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    0.4561   -2.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127   -0.5028    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3786   -0.5278   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.0225   -1.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3753    0.0559   -0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2781   -0.0129   -2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1377   -1.2397   -2.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5185    1.3358   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369    1.7063    0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    1.1379    1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5253    1.2393    2.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -0.1665    1.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6163   -1.2127    1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -0.9943    1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -1.5031    2.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -1.0038    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -0.5338    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054   -0.5185    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526   -0.7660    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040   -0.8131    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568   -1.4879    2.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3862   -0.3884   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1104    1.0158    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3048    1.0172   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4258    1.0093   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964    1.0791   -2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1037    0.7907   -2.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    0.5668   -2.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.6858   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974   -0.8105   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0918    0.8345   -2.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3254    0.0315   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4031   -1.9477   -2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350    2.1203   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0810    2.4091   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037    2.0022    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8151    2.1865    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110    0.1365    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -0.8985    2.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5221   -1.8847    3.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -1.3881    2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -1.2926    1.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885   -1.9916    2.8556 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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 30  7  1  0
 29 11  1  0
 24 15  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  4 37  1  0
  5 38  1  0
  8 39  1  0
 13 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 27 52  1  0
 28 53  1  0
 31 54  1  0
 33 55  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-b-D-Glucopyranosyldiosmetin	Generator
6-Β-D-glucopyranosyldiosmetin	Generator
6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone	HMDB
6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	HMDB
6-C-beta-D-Glucopyranosyldiosmetin	HMDB

Chemical Formula

C₂₂H₂₂O₁₁

Average Molecular Weight

462.4035

Monoisotopic Molecular Weight

462.116211546

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS Registry Number

15822-82-9

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O

InChI Identifier

InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3

InChI Key

ADVFPEKLSDNTRV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
4p-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavone
3'-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
C-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
1-benzopyran
Methoxyphenol
Methoxybenzene
Anisole
Phenol ether
Phenoxy compound
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Dialkyl ether
Organoheterocyclic compound
Oxacycle
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: HMDB0037567)
Cytoplasm (HMDB: HMDB0037567)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037567)

Source

Exogenous

Exogenous (HMDB: HMDB0037567)

Food

Food (HMDB: HMDB0037567)

Fruit

Citrus

Lemon (FooDB: FOOD00054)
Citrus (FooDB: FOOD00859)

Endogenous

Plant

Plant (HMDB: HMDB0037567)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037567)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	243 - 245 °C	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	1.3 g/L	ALOGPS
logP	0.51	ALOGPS
logP	-0.21	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	112.5 m³·mol⁻¹	ChemAxon
Polarizability	45.67 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]+	202.926	30932474
DeepCCS	[M-H]-	200.53	30932474
DeepCCS	[M-2H]-	233.413	30932474
DeepCCS	[M+Na]+	208.838	30932474
AllCCS	[M+H]+	210.5	32859911
AllCCS	[M+H-H2O]+	208.0	32859911
AllCCS	[M+NH4]+	212.7	32859911
AllCCS	[M+Na]+	213.4	32859911
AllCCS	[M-H]-	207.9	32859911
AllCCS	[M+Na-2H]-	208.9	32859911
AllCCS	[M+HCOO]-	210.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-beta-D-Glucopyranosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O	5623.3	Standard polar	33892256
6-beta-D-Glucopyranosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O	4097.8	Standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(C1OC(CO)C(O)C(O)C1O)=C2O	4617.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4479.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4527.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4499.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4514.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4517.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4496.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4508.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4332.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4343.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4347.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4323.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4352.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4350.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4329.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4312.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4366.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4353.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4316.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4339.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4362.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4317.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4351.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4345.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4349.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4369.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4416.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4364.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4339.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4163.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4246.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4242.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4212.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4245.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4207.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4219.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4190.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4185.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4221.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4189.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4151.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4184.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4197.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4165.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4211.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4192.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4206.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4127.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4140.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4109.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4225.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4135.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4216.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4196.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4127.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4108.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4265.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4124.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4157.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4239.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4220.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4204.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4203.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4210.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4037.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4086.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4120.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4121.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4082.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4103.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4078.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4072.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4148.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4088.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4075.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4032.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4088.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4042.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4103.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4033.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4073.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4062.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4075.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4069.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4066.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4056.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4021.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4081.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4026.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4016.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4006.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4119.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	4021.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4066.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4037.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4024.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4081.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4035.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,4TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4112.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	3991.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4011.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	4095.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4030.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4035.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4022.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4048.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4009.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4017.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	3998.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4005.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	3994.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	4035.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	3987.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3998.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	3971.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4050.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3988.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	3997.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4008.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,5TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4015.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	3978.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3965.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3978.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3951.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	3960.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4007.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,6TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	3958.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4720.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4770.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4760.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4808.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4816.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4806.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,1TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4774.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4840.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4873.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4864.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	4842.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4833.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4852.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4841.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4830.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4859.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4871.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4851.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4820.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4882.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4850.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4818.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4835.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4836.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4854.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4902.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4866.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4844.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4883.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4881.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4892.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4911.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4898.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4920.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4926.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4961.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4953.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4992.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4967.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4867.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4904.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4947.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4904.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4901.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4900.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4914.5	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	4862.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4896.3	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4862.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[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(O)C=C3O2)C=C1O	4882.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4881.0	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[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(O)C=C3O2)C=C1O	4894.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[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(O)C=C3O2)C=C1O	4885.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	4873.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4873.8	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)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(O)C=C3O2)C=C1O	4891.4	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	4880.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4879.6	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4985.9	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4888.1	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4906.2	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4894.7	Semi standard non polar	33892256
6-beta-D-Glucopyranosyldiosmetin,3TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4940.6	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 - 6-beta-D-Glucopyranosyldiosmetin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ir0-4109600000-eb67ee7a5aae424a1356	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin GC-MS (3 TMS) - 70eV, Positive	splash10-03xr-2300459000-b6feabf1255a16480d51	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin GC-MS (TBDMS_3_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin GC-MS ("6-beta-D-Glucopyranosyldiosmetin,3TBDMS,#35" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 10V, Positive-QTOF	splash10-03dj-0000900000-21170a881542c770229e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 20V, Positive-QTOF	splash10-01ot-3302900000-799473ab5be36f02018a	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 40V, Positive-QTOF	splash10-0729-4229100000-9014704b17d9d7ec8c7e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 10V, Negative-QTOF	splash10-03di-0001900000-98197202d1a39d2c9a60	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 20V, Negative-QTOF	splash10-01vo-6226900000-ecf4b5af30cbd95b2288	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 40V, Negative-QTOF	splash10-052g-9236200000-d58efc80bcfd21400fa0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 10V, Positive-QTOF	splash10-03di-0000900000-c8f780a3379619c168ac	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 20V, Positive-QTOF	splash10-03di-0000900000-9d73d37942e5cd95a57e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 40V, Positive-QTOF	splash10-00di-0001900000-acab256bb088b8a5b4b4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 10V, Negative-QTOF	splash10-03di-0000900000-38de9877842a6ca6ba40	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 20V, Negative-QTOF	splash10-0002-0000900000-30c0992408e03a2335d6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-beta-D-Glucopyranosyldiosmetin 40V, Negative-QTOF	splash10-03di-0201900000-1f9163f7c2e2267c232f	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	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

FDB016652

KNApSAcK ID

C00006123

Chemspider ID

35014436

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14861262

PDB ID

Not Available

ChEBI ID

Not Available

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 6-beta-D-Glucopyranosyldiosmetin (HMDB0037567)

MOL for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

3D MOL for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

3D SDF for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

3D-SDF for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

PDB for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

3D PDB for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

SMILES for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

INCHI for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

Structure for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

3D Structure for HMDB0037567 (6-beta-D-Glucopyranosyldiosmetin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra