Structure Database (LMSD)

Systematic Name
5,7-Dihydroxyisoflavone
Synonyms
LM ID
LMPK12050160
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
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)
PJJGZPJJTHBVMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC=CC=C3)=COC=2C=1

Other Databases

HMDB ID
HMDB0030699
CHEBI ID
174348
METABOLOMICS ID
FLIAA9NS0003
PubChem CID
5377381

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 212.32
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.77
Molar Refractivity 71.36

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Updated at
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