Structure Database (LMSD)

Common Name
Onogenin
Systematic Name
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone
Synonyms
LM ID
LMPK12050466
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DZXJXYRRENIUNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-6,12,18H,7-8H2,1H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC4OCOC=4C=C3OC)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FLIB1LNS0007
PubChem CID
10470862

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 265.68
Topological Polar Surface Area 80.43
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.77
Molar Refractivity 80.28

Admin

Created at
-
Updated at
-