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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:31:05 UTC

Update Date

2022-03-07 02:52:12 UTC

HMDB ID

HMDB0029548

Secondary Accession Numbers

HMDB29548

Metabolite Identification

Common Name

Diosmin

Description

Diosmin 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. Diosmin is found, on average, in the highest concentration within a few different foods, such as hyssops (Hyssopus officinalis), peppermints (Mentha X piperita), and lemons (Citrus limon). Diosmin has also been detected, but not quantified in, several different foods, such as green vegetables, mandarin orange (clementine, tangerine), rosemaries (Rosmarinus officinalis), spearmints (Mentha spicata), and sweet oranges (Citrus sinensis). This could make diosmin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Diosmin.

Structure

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


  Mrv0541 02241218112D          

 43 47  0  0  0  0            999 V2000
   -4.0423   -0.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998    0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573    0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -0.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -1.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546   -1.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546   -0.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998   -1.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -1.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -1.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121   -1.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121   -2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0423    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
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 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END

HMDB0029548
     RDKit          3D
Diosmin
 75 79  0  0  0  0  0  0  0  0999 V2000
   10.3839    3.5257   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6181    2.1826    0.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5392    1.3178    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2545    1.7801   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627    0.9080    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549   -0.4094    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -1.3146    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -2.6393    0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929   -3.4774    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247   -4.6883    1.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
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 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 41 74  1  0
 43 75  1  0
M  END


  Mrv0541 02241218112D          

 43 47  0  0  0  0            999 V2000
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   -3.2998   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5672    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    1.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173   -1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7422    1.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829    1.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829    3.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    1.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 41  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 42  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029548

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3

> <INCHI_KEY>
GZSOSUNBTXMUFQ-UHFFFAOYSA-N

> <FORMULA>
C28H32O15

> <MOLECULAR_WEIGHT>
608.5447

> <EXACT_MASS>
608.174120354

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
59.89642289505568

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
-0.44297590433333345

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.584533864342719

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.475596774388157

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121823516836606

> <JCHEM_POLAR_SURFACE_AREA>
234.28999999999996

> <JCHEM_REFRACTIVITY>
142.39110000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.54e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diosmine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029548
     RDKit          3D
Diosmin
 75 79  0  0  0  0  0  0  0  0999 V2000
   10.3839    3.5257   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6181    2.1826    0.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5392    1.3178    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2545    1.7801   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627    0.9080    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549   -0.4094    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -1.3146    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -2.6393    0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929   -3.4774    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247   -4.6883    1.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9442   -2.9306    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -3.6825    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -5.0046    0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820   -3.0497    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -1.7282    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -1.1342   -0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948   -1.6789   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630   -1.1999    0.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.0496    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227   -0.3310    0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    0.8035    0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311    0.5991    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5729    1.3147    1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2962    2.4444    1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4673    3.6159    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5192    2.2551    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6749    3.4268   -0.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4039    1.0622   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0240   -0.0690    0.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9350    0.7581   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9557   -0.4241   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.6159   -0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    1.6573   -0.8023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783   -0.2901   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587   -0.3281   -2.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -1.6507   -1.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -2.5248   -1.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   -1.0272   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8946   -1.5885    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897   -0.8663    0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6093   -0.8457    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    0.0117    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9859   -0.4624    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531    3.9379    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8781    3.5507   -1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3342    4.1034   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    2.8215   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045    1.3333   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691   -3.0679    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -5.6562    1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -3.7088    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064   -2.7863   -0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    0.7091    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3059   -1.2018    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -0.6235    1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -0.4910    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6965    2.7813    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8627    3.9477    1.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8853    3.4170    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1854    4.4296    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4503    2.1040    1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2182    3.2052   -0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8930    1.3099   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2862    0.1723    1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5994    1.5772   -1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7186   -1.2078   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2978    1.1620   -1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    1.9990    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    0.1881   -2.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626   -0.5883   -3.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519   -2.0572   -2.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -2.9662   -2.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293    0.0212   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225   -1.8688    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1841   -1.4304    1.0542 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  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 36 17  1  0
 30 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  0
  8 49  1  0
 13 50  1  0
 14 51  1  0
 17 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 22 56  1  0
 24 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 27 62  1  0
 28 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 41 74  1  0
 43 75  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -7.546  -1.231   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.160  -0.615   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.160   0.923   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.774   1.693   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.541   0.923   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.541  -0.615   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.774  -1.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.774  -2.925   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.541  -3.695   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.155  -2.925   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.155  -1.385   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -6.160  -3.695   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       3.233  -2.771   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.847  -3.695   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.461  -2.925   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.769  -3.695   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.769  -5.235   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.461  -6.006   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.847  -5.235   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.233  -6.006   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.619  -5.235   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.774   3.233   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.233   3.233   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.463   4.619   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.233   6.006   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.463   2.001   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.923   2.001   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.155   0.615   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.385   0.615   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.925   0.615   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.695   2.001   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.925   3.233   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.695  -0.769   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       5.235  -0.769   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.006  -2.001   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.385   3.233   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.155   3.233   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.923   4.619   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.155   6.006   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.006   3.233   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.235   2.001   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.006   0.615   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       7.546   0.615   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    2    6    8                                                  
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11    6   10                                                       
CONECT   12    8                                                            
CONECT   13   14                                                            
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   10   15   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   14   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22    4   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25   38                                                  
CONECT   25   24                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28   37                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32   41                                                  
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   35   42                                                  
CONECT   35   34                                                            
CONECT   36   37                                                            
CONECT   37   27   36   38                                                  
CONECT   38   24   37   39                                                  
CONECT   39   38                                                            
CONECT   40   41                                                            
CONECT   41   31   40   42                                                  
CONECT   42   34   41   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0029548
HETATM    1  C1  UNL     1      10.384   3.526  -0.262  1.00  0.00           C  
HETATM    2  O1  UNL     1      10.618   2.183   0.097  1.00  0.00           O  
HETATM    3  C2  UNL     1       9.539   1.318   0.188  1.00  0.00           C  
HETATM    4  C3  UNL     1       8.255   1.780  -0.072  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.163   0.908   0.019  1.00  0.00           C  
HETATM    6  C5  UNL     1       7.355  -0.409   0.366  1.00  0.00           C  
HETATM    7  C6  UNL     1       6.197  -1.315   0.457  1.00  0.00           C  
HETATM    8  C7  UNL     1       6.289  -2.639   0.793  1.00  0.00           C  
HETATM    9  C8  UNL     1       5.193  -3.477   0.874  1.00  0.00           C  
HETATM   10  O2  UNL     1       5.325  -4.688   1.187  1.00  0.00           O  
HETATM   11  C9  UNL     1       3.944  -2.931   0.599  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.807  -3.682   0.655  1.00  0.00           C  
HETATM   13  O3  UNL     1       2.807  -5.005   0.979  1.00  0.00           O  
HETATM   14  C11 UNL     1       1.582  -3.050   0.361  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.481  -1.728   0.025  1.00  0.00           C  
HETATM   16  O4  UNL     1       0.274  -1.134  -0.258  1.00  0.00           O  
HETATM   17  C13 UNL     1      -0.995  -1.679  -0.290  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.863  -1.200   0.650  1.00  0.00           O  
HETATM   19  C14 UNL     1      -2.531  -0.050   0.406  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.023  -0.331   0.646  1.00  0.00           C  
HETATM   21  O6  UNL     1      -4.780   0.803   0.422  1.00  0.00           O  
HETATM   22  C16 UNL     1      -6.131   0.599   0.613  1.00  0.00           C  
HETATM   23  O7  UNL     1      -6.573   1.315   1.689  1.00  0.00           O  
HETATM   24  C17 UNL     1      -7.296   2.444   1.439  1.00  0.00           C  
HETATM   25  C18 UNL     1      -6.467   3.616   0.956  1.00  0.00           C  
HETATM   26  C19 UNL     1      -8.519   2.255   0.580  1.00  0.00           C  
HETATM   27  O8  UNL     1      -8.675   3.427  -0.171  1.00  0.00           O  
HETATM   28  C20 UNL     1      -8.404   1.062  -0.328  1.00  0.00           C  
HETATM   29  O9  UNL     1      -9.024  -0.069   0.198  1.00  0.00           O  
HETATM   30  C21 UNL     1      -6.935   0.758  -0.646  1.00  0.00           C  
HETATM   31  O10 UNL     1      -6.956  -0.424  -1.402  1.00  0.00           O  
HETATM   32  C22 UNL     1      -2.335   0.616  -0.905  1.00  0.00           C  
HETATM   33  O11 UNL     1      -1.381   1.657  -0.802  1.00  0.00           O  
HETATM   34  C23 UNL     1      -2.078  -0.290  -2.068  1.00  0.00           C  
HETATM   35  O12 UNL     1      -3.159  -0.328  -2.966  1.00  0.00           O  
HETATM   36  C24 UNL     1      -1.612  -1.651  -1.681  1.00  0.00           C  
HETATM   37  O13 UNL     1      -2.693  -2.525  -1.719  1.00  0.00           O  
HETATM   38  C25 UNL     1       2.670  -1.027  -0.013  1.00  0.00           C  
HETATM   39  C26 UNL     1       3.895  -1.588   0.264  1.00  0.00           C  
HETATM   40  O14 UNL     1       4.990  -0.866   0.211  1.00  0.00           O  
HETATM   41  C27 UNL     1       8.609  -0.846   0.616  1.00  0.00           C  
HETATM   42  C28 UNL     1       9.725   0.012   0.532  1.00  0.00           C  
HETATM   43  O15 UNL     1      10.986  -0.462   0.792  1.00  0.00           O  
HETATM   44  H1  UNL     1       9.653   3.938   0.479  1.00  0.00           H  
HETATM   45  H2  UNL     1       9.878   3.551  -1.266  1.00  0.00           H  
HETATM   46  H3  UNL     1      11.334   4.103  -0.282  1.00  0.00           H  
HETATM   47  H4  UNL     1       8.133   2.822  -0.342  1.00  0.00           H  
HETATM   48  H5  UNL     1       6.204   1.333  -0.196  1.00  0.00           H  
HETATM   49  H6  UNL     1       7.269  -3.068   1.008  1.00  0.00           H  
HETATM   50  H7  UNL     1       3.456  -5.656   1.213  1.00  0.00           H  
HETATM   51  H8  UNL     1       0.735  -3.709   0.428  1.00  0.00           H  
HETATM   52  H9  UNL     1      -0.906  -2.786  -0.067  1.00  0.00           H  
HETATM   53  H10 UNL     1      -2.281   0.709   1.205  1.00  0.00           H  
HETATM   54  H11 UNL     1      -4.306  -1.202   0.057  1.00  0.00           H  
HETATM   55  H12 UNL     1      -4.139  -0.623   1.730  1.00  0.00           H  
HETATM   56  H13 UNL     1      -6.236  -0.491   0.903  1.00  0.00           H  
HETATM   57  H14 UNL     1      -7.696   2.781   2.444  1.00  0.00           H  
HETATM   58  H15 UNL     1      -5.863   3.948   1.828  1.00  0.00           H  
HETATM   59  H16 UNL     1      -5.885   3.417   0.059  1.00  0.00           H  
HETATM   60  H17 UNL     1      -7.185   4.430   0.728  1.00  0.00           H  
HETATM   61  H18 UNL     1      -9.450   2.104   1.197  1.00  0.00           H  
HETATM   62  H19 UNL     1      -9.218   3.205  -0.994  1.00  0.00           H  
HETATM   63  H20 UNL     1      -8.893   1.310  -1.291  1.00  0.00           H  
HETATM   64  H21 UNL     1      -9.286   0.172   1.138  1.00  0.00           H  
HETATM   65  H22 UNL     1      -6.599   1.577  -1.295  1.00  0.00           H  
HETATM   66  H23 UNL     1      -6.719  -1.208  -0.814  1.00  0.00           H  
HETATM   67  H24 UNL     1      -3.298   1.162  -1.142  1.00  0.00           H  
HETATM   68  H25 UNL     1      -1.414   1.999   0.139  1.00  0.00           H  
HETATM   69  H26 UNL     1      -1.235   0.188  -2.651  1.00  0.00           H  
HETATM   70  H27 UNL     1      -2.763  -0.588  -3.852  1.00  0.00           H  
HETATM   71  H28 UNL     1      -0.852  -2.057  -2.386  1.00  0.00           H  
HETATM   72  H29 UNL     1      -2.729  -2.966  -2.613  1.00  0.00           H  
HETATM   73  H30 UNL     1       2.629   0.021  -0.274  1.00  0.00           H  
HETATM   74  H31 UNL     1       8.823  -1.869   0.893  1.00  0.00           H  
HETATM   75  H32 UNL     1      11.184  -1.430   1.054  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3
CONECT    3    4    4   42
CONECT    4    5   47
CONECT    5    6    6   48
CONECT    6    7   41
CONECT    7    8    8   40
CONECT    8    9   49
CONECT    9   10   10   11
CONECT   11   12   12   39
CONECT   12   13   14
CONECT   13   50
CONECT   14   15   15   51
CONECT   15   16   38
CONECT   16   17
CONECT   17   18   36   52
CONECT   18   19
CONECT   19   20   32   53
CONECT   20   21   54   55
CONECT   21   22
CONECT   22   23   30   56
CONECT   23   24
CONECT   24   25   26   57
CONECT   25   58   59   60
CONECT   26   27   28   61
CONECT   27   62
CONECT   28   29   30   63
CONECT   29   64
CONECT   30   31   65
CONECT   31   66
CONECT   32   33   34   67
CONECT   33   68
CONECT   34   35   36   69
CONECT   35   70
CONECT   36   37   71
CONECT   37   72
CONECT   38   39   39   73
CONECT   39   40
CONECT   41   42   42   74
CONECT   42   43
CONECT   43   75
END

HMDB0029548
     RDKit          3D
Diosmin
 75 79  0  0  0  0  0  0  0  0999 V2000
   10.3839    3.5257   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6181    2.1826    0.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5392    1.3178    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2545    1.7801   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627    0.9080    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549   -0.4094    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968   -1.3146    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   -2.6393    0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929   -3.4774    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247   -4.6883    1.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9442   -2.9306    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -3.6825    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -5.0046    0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820   -3.0497    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -1.7282    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -1.1342   -0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948   -1.6789   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630   -1.1999    0.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.0496    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227   -0.3310    0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    0.8035    0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1311    0.5991    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5729    1.3147    1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2962    2.4444    1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4673    3.6159    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5192    2.2551    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6749    3.4268   -0.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4039    1.0622   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0240   -0.0690    0.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9350    0.7581   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9557   -0.4241   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.6159   -0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    1.6573   -0.8023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783   -0.2901   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587   -0.3281   -2.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -1.6507   -1.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -2.5248   -1.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   -1.0272   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8946   -1.5885    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897   -0.8663    0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6093   -0.8457    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    0.0117    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9859   -0.4624    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531    3.9379    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8781    3.5507   -1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3342    4.1034   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    2.8215   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045    1.3333   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691   -3.0679    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -5.6562    1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -3.7088    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064   -2.7863   -0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    0.7091    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3059   -1.2018    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -0.6235    1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -0.4910    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6965    2.7813    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8627    3.9477    1.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8853    3.4170    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1854    4.4296    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4503    2.1040    1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2182    3.2052   -0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8930    1.3099   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2862    0.1723    1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5994    1.5772   -1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7186   -1.2078   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2978    1.1620   -1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    1.9990    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    0.1881   -2.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626   -0.5883   -3.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519   -2.0572   -2.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -2.9662   -2.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293    0.0212   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225   -1.8688    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1841   -1.4304    1.0542 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  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 36 17  1  0
 30 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  0
  8 49  1  0
 13 50  1  0
 14 51  1  0
 17 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 22 56  1  0
 24 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 27 62  1  0
 28 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 41 74  1  0
 43 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
5,7,3'-Trihydroxy-4'-methoxyflavone 7-O-rutinoside	HMDB
Barosmin	HMDB
Daflon	HMDB
Diosmetin 7-O-rutinoside	HMDB
Diosmetin 7-rutinoside	HMDB
Diosmetin-7-O-rutinoside	HMDB
Diosmil	HMDB
Diosmin, ban, inn	HMDB
Diosmine	HMDB
Diosminum	HMDB
Diovenor	HMDB
Flebosten	HMDB
Luteolin 4'-methyl ether 7-rutinoside	HMDB
Rioven	HMDB
Salinigricoflavonoloside	HMDB
Tovene	HMDB
Ven-detrex	HMDB
veno-V	HMDB
Venosmine	HMDB

Chemical Formula

C₂₈H₃₂O₁₅

Average Molecular Weight

608.5447

Monoisotopic Molecular Weight

608.174120354

IUPAC Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Traditional Name

diosmine

CAS Registry Number

520-27-4

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O

InChI Identifier

InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3

InChI Key

GZSOSUNBTXMUFQ-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
4p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Phenol
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Oxane
Pyran
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029548)
Cytoplasm (HMDB: HMDB0029548)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029548)

Source

Endogenous

Endogenous (HMDB: HMDB0029548)

Plant

Plant (HMDB: HMDB0029548)

Exogenous

Food

Food (HMDB: HMDB0029548)

Fruit

Citrus

Lemon (FooDB: FOOD00054)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)

Green vegetables (FooDB: FOOD00872)

Process

Not Available

Role

Biological role

anti cancer (HMDB: HMDB0029548)
anti capillary-fragility (HMDB: HMDB0029548)
anti carcinogenic (HMDB: HMDB0029548)
anti clastogen (HMDB: HMDB0029548)
anti CVI (HMDB: HMDB0029548)
anti cytotoxic (HMDB: HMDB0029548)
anti edemic (HMDB: HMDB0029548)
anti hemorrhoidal (HMDB: HMDB0029548)
anti histaminic (HMDB: HMDB0029548)
anti inflammatory (HMDB: HMDB0029548)
anti leukotriene (HMDB: HMDB0029548)
anti melanomic (HMDB: HMDB0029548)
anti metastatic (HMDB: HMDB0029548)
anti metrorrhagic (HMDB: HMDB0029548)
Antioxidant (HMDB: HMDB0029548)
anti peroxidant (HMDB: HMDB0029548)
anti proliferant (HMDB: HMDB0029548)
hormone antagonist (HMDB: HMDB0029548)
anti radicular (HMDB: HMDB0029548)
anti thromboxane (HMDB: HMDB0029548)
anti ulcer (HMDB: HMDB0029548)
cytoprotective (HMDB: HMDB0029548)
venoprotective (HMDB: HMDB0029548)
venotonic (HMDB: HMDB0029548)

Modulator

Inhibitor

Enzyme inhibitor

EC 2.1.1.6 (catechol O-methyltransferase) inhibitor (HMDB: HMDB0029548)
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (HMDB: HMDB0029548)
cyclooxygenase inhibitor (HMDB: HMDB0029548)
cytochrome-P450 inhibitor (HMDB: HMDB0029548)
lipoxygenase inhibitor (HMDB: HMDB0029548)
multidrug resistance inhibitor (HMDB: HMDB0029548)

Indirect biological role

antioxidant (HMDB: HMDB0029548)

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

hormone antagonist (HMDB: HMDB0029548)
antineoplastic agent (HMDB: HMDB0029548)
diuretic (HMDB: HMDB0029548)
hypoglycemic agent (HMDB: HMDB0029548)
radiopharmaceutical (HMDB: HMDB0029548)

Pharmaceutical industry

Anti-inflammatory (HMDB: HMDB0029548)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	280 °C	Not Available
Boiling Point	926.78 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	407.8 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	0.14	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.54 g/L	ALOGPS
logP	0.08	ALOGPS
logP	-0.44	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	8.48	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	142.39 m³·mol⁻¹	ChemAxon
Polarizability	59.9 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	225.081	30932474
DeepCCS	[M-H]-	222.685	30932474
DeepCCS	[M-2H]-	255.818	30932474
DeepCCS	[M+Na]+	230.993	30932474
AllCCS	[M+H]+	234.0	32859911
AllCCS	[M+H-H2O]+	232.9	32859911
AllCCS	[M+NH4]+	235.1	32859911
AllCCS	[M+Na]+	235.4	32859911
AllCCS	[M-H]-	228.0	32859911
AllCCS	[M+Na-2H]-	230.6	32859911
AllCCS	[M+HCOO]-	233.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Diosmin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	6102.1	Standard polar	33892256
Diosmin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	5116.3	Standard non polar	33892256
Diosmin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O	5685.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Diosmin,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5451.1	Semi standard non polar	33892256
Diosmin,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5495.4	Semi standard non polar	33892256
Diosmin,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5482.1	Semi standard non polar	33892256
Diosmin,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5486.5	Semi standard non polar	33892256
Diosmin,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5496.5	Semi standard non polar	33892256
Diosmin,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5505.7	Semi standard non polar	33892256
Diosmin,1TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5508.6	Semi standard non polar	33892256
Diosmin,1TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5463.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5304.5	Semi standard non polar	33892256
Diosmin,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5336.5	Semi standard non polar	33892256
Diosmin,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5357.4	Semi standard non polar	33892256
Diosmin,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5362.9	Semi standard non polar	33892256
Diosmin,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5371.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5277.6	Semi standard non polar	33892256
Diosmin,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5342.9	Semi standard non polar	33892256
Diosmin,2TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5322.4	Semi standard non polar	33892256
Diosmin,2TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5322.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5333.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5298.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5339.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5335.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5331.1	Semi standard non polar	33892256
Diosmin,2TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5357.1	Semi standard non polar	33892256
Diosmin,2TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5332.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5379.5	Semi standard non polar	33892256
Diosmin,2TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5397.1	Semi standard non polar	33892256
Diosmin,2TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5342.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5387.4	Semi standard non polar	33892256
Diosmin,2TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5350.2	Semi standard non polar	33892256
Diosmin,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5290.7	Semi standard non polar	33892256
Diosmin,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5318.8	Semi standard non polar	33892256
Diosmin,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5342.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5339.1	Semi standard non polar	33892256
Diosmin,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5364.3	Semi standard non polar	33892256
Diosmin,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5331.0	Semi standard non polar	33892256
Diosmin,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5336.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5195.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5217.8	Semi standard non polar	33892256
Diosmin,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5263.8	Semi standard non polar	33892256
Diosmin,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5194.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5177.2	Semi standard non polar	33892256
Diosmin,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5156.1	Semi standard non polar	33892256
Diosmin,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5204.8	Semi standard non polar	33892256
Diosmin,3TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5207.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5187.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5243.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5220.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5110.2	Semi standard non polar	33892256
Diosmin,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5271.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5243.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5136.1	Semi standard non polar	33892256
Diosmin,3TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5152.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5196.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5193.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5217.4	Semi standard non polar	33892256
Diosmin,3TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5190.4	Semi standard non polar	33892256
Diosmin,3TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5172.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5158.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5151.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5196.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5204.2	Semi standard non polar	33892256
Diosmin,3TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5182.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5226.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5211.2	Semi standard non polar	33892256
Diosmin,3TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5275.4	Semi standard non polar	33892256
Diosmin,3TMS,isomer #36	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5237.8	Semi standard non polar	33892256
Diosmin,3TMS,isomer #37	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5147.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #38	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5141.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #39	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5150.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5192.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #40	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5146.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #41	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5204.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #42	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5184.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #43	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5228.3	Semi standard non polar	33892256
Diosmin,3TMS,isomer #44	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5164.1	Semi standard non polar	33892256
Diosmin,3TMS,isomer #45	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5226.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #46	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5190.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #47	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5155.8	Semi standard non polar	33892256
Diosmin,3TMS,isomer #48	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5131.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #49	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5185.9	Semi standard non polar	33892256
Diosmin,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5178.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #50	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5186.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #51	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5250.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #52	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5215.0	Semi standard non polar	33892256
Diosmin,3TMS,isomer #53	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5188.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #54	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5238.5	Semi standard non polar	33892256
Diosmin,3TMS,isomer #55	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5297.6	Semi standard non polar	33892256
Diosmin,3TMS,isomer #56	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5208.7	Semi standard non polar	33892256
Diosmin,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5226.3	Semi standard non polar	33892256
Diosmin,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5178.3	Semi standard non polar	33892256
Diosmin,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5199.1	Semi standard non polar	33892256
Diosmin,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5231.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5004.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5011.0	Semi standard non polar	33892256
Diosmin,4TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4982.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5037.3	Semi standard non polar	33892256
Diosmin,4TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5054.9	Semi standard non polar	33892256
Diosmin,4TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5094.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5074.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5068.1	Semi standard non polar	33892256
Diosmin,4TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5057.1	Semi standard non polar	33892256
Diosmin,4TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5037.9	Semi standard non polar	33892256
Diosmin,4TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5086.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5012.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5063.9	Semi standard non polar	33892256
Diosmin,4TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5046.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5095.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5101.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5142.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5118.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5048.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5032.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5078.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5034.3	Semi standard non polar	33892256
Diosmin,4TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5066.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5066.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5048.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[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	5065.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[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	5101.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[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	5084.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)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	5151.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #36	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5010.0	Semi standard non polar	33892256
Diosmin,4TMS,isomer #37	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5000.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #38	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4985.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #39	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5016.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5043.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #40	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5005.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #41	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5001.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #42	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5026.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #43	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5045.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #44	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5077.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #45	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5058.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #46	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5062.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #47	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5048.1	Semi standard non polar	33892256
Diosmin,4TMS,isomer #48	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5089.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #49	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5047.0	Semi standard non polar	33892256
Diosmin,4TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5086.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #50	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5078.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #51	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5060.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #52	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5056.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #53	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5087.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #54	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5073.1	Semi standard non polar	33892256
Diosmin,4TMS,isomer #55	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5133.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #56	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4990.5	Semi standard non polar	33892256
Diosmin,4TMS,isomer #57	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4981.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #58	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5009.4	Semi standard non polar	33892256
Diosmin,4TMS,isomer #59	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4986.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5002.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #60	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5015.3	Semi standard non polar	33892256
Diosmin,4TMS,isomer #61	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4996.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #62	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5043.0	Semi standard non polar	33892256
Diosmin,4TMS,isomer #63	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5071.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #64	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5053.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #65	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5081.1	Semi standard non polar	33892256
Diosmin,4TMS,isomer #66	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4997.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #67	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5029.9	Semi standard non polar	33892256
Diosmin,4TMS,isomer #68	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5013.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #69	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[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	5107.6	Semi standard non polar	33892256
Diosmin,4TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4974.8	Semi standard non polar	33892256
Diosmin,4TMS,isomer #70	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5092.2	Semi standard non polar	33892256
Diosmin,4TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4971.7	Semi standard non polar	33892256
Diosmin,4TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4985.4	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5656.3	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5743.6	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5731.7	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5727.0	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5739.6	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5751.3	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5753.3	Semi standard non polar	33892256
Diosmin,1TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5677.2	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5725.1	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5751.6	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5776.1	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5802.2	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5796.5	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5738.4	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5753.6	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5750.7	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5779.9	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5765.4	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O	5710.8	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5742.1	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5739.5	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5757.6	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5762.7	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5750.6	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5808.3	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5828.7	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5777.0	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5811.0	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5760.3	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5706.1	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5699.6	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5739.9	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5760.9	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5759.2	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5756.1	Semi standard non polar	33892256
Diosmin,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)C=C1O	5758.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-7432290000-d70f47a129b3142c35cb	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (1 TMS) - 70eV, Positive	splash10-0900-6331019000-bde6242eed34a2bd808d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diosmin GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin LC-ESI-qTof , Positive-QTOF	splash10-0udi-0249000000-bd1d2df9c9ae8a17841f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , negative-QTOF	splash10-0002-0090000000-d4179a0eac71cee296c4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , negative-QTOF	splash10-0002-0090000000-2d58a9e098baf7884b31	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , positive-QTOF	splash10-03di-0001900000-cb8633696196ba8d631a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , positive-QTOF	splash10-03di-0001900000-0804b33b8df38a53f208	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , positive-QTOF	splash10-0089-0009100000-02518ed6c111bd22a8f2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin Linear Ion Trap , positive-QTOF	splash10-0089-0009100000-33682b6050606a7b1811	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin , positive-QTOF	splash10-0udi-0249000000-bd1d2df9c9ae8a17841f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-001i-0090000000-6c0964f69118a53d9c02	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0udi-0009403000-576343b0109027111529	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0bt9-0008903000-60aff456412fa112c030	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0002-0091000000-7022821f0c4a5d745678	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 10V, Positive-QTOF	splash10-08fr-0004907000-5cb30d60fe09978a64b9	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0002-0091000000-12577c1dd4b5cfa80125	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0a4i-0020009000-dfe53d41d78137fd25f7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 20V, Positive-QTOF	splash10-0w29-0009400000-3bd7d8bfd41e0700368e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 20V, Negative-QTOF	splash10-0002-0090001000-af1d868643550c0db6ab	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0a4i-0020009000-93ef6149b97e092e4a5a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Diosmin 6V, Positive-QTOF	splash10-0a4i-0020009000-ba94be76e265df4c7a26	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 10V, Positive-QTOF	splash10-0udl-0139153000-a5df8b8ace59185711f6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 20V, Positive-QTOF	splash10-0udi-0149100000-745e0883625146afe113	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 40V, Positive-QTOF	splash10-0uei-1598000000-7d042cfcc8d7a6d00ffc	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 10V, Negative-QTOF	splash10-0bta-3491236000-47db98d4ee7c0cbbd9d8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 20V, Negative-QTOF	splash10-0002-2490010000-590296c798c9902cd85c	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diosmin 40V, Negative-QTOF	splash10-000t-1190000000-3e769837d46cbf206b3d	2015-04-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Diosmin

METLIN ID

Not Available

PubChem Compound

5353588

PDB ID

Not Available

ChEBI ID

1188022

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1181451

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Dholakiya SL, Benzeroual KE: Protective effect of diosmin on LPS-induced apoptosis in PC12 cells and inhibition of TNF-alpha expression. Toxicol In Vitro. 2011 Aug;25(5):1039-44. doi: 10.1016/j.tiv.2011.04.003. Epub 2011 Apr 6. [PubMed:21477647 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Diosmin (HMDB0029548)

MOL for HMDB0029548 (Diosmin)

3D MOL for HMDB0029548 (Diosmin)

3D SDF for HMDB0029548 (Diosmin)

3D-SDF for HMDB0029548 (Diosmin)

PDB for HMDB0029548 (Diosmin)

3D PDB for HMDB0029548 (Diosmin)

SMILES for HMDB0029548 (Diosmin)

INCHI for HMDB0029548 (Diosmin)

Structure for HMDB0029548 (Diosmin)

3D Structure for HMDB0029548 (Diosmin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra