Structure Database (LMSD)

O O O O OH HO HO HO O O O
Common Name
Onogenin 7-O-glucoside
Systematic Name
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone 7-O-glucoside
Synonyms
  • Onoside
LM ID
LMPK12050452
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
MUMZCCFWSDSRJP-UMTYBONSSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-29-14-6-17-16(31-9-32-17)5-12(14)13-8-30-15-4-10(2-3-11(15)19(13)25)33-23-22(28)21(27)20(26)18(7-24)34-23/h2-6,13,18,20-24,26-28H,7-9H2,1H3/t13?,18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C(=O)C(C3C(OC)=CC4OCOC=4C=3)COC=2C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FLIB1LGS0001
PubChem CID
13258916

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 401.07
Topological Polar Surface Area 161.65
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 1.96
Molar Refractivity 116.06

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Created at
-
Updated at
31st May 2024