Structure Database (LMSD)

Common Name
6-Hydroxygenistein
Systematic Name
Synonyms
LM ID
LMPK12050386
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Active
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)
HDXSEWOOSVMREY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C(O)=C1O

Other Databases

HMDB ID
HMDB0041688
CHEBI ID
174718
METABOLOMICS ID
FLIAEANS0004
PubChem CID
6063386

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.90
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 74.69

Admin

Created at
-
Updated at
-