Structure Database (LMSD)

Common Name
2'-Hydroxygenistein
Systematic Name
Synonyms
LM ID
LMPK12050327
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
GSSOWCUOWLMMRJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3O)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C12134
HMDB ID
HMDB0034014
CHEBI ID
70031
METABOLOMICS ID
FLIAALNS0002
PubChem CID
5282074

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

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Updated at
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