Structure Database (LMSD)

Systematic Name
7,8,2',4'-Tetrahydroxyisoflavone
Synonyms
LM ID
LMPK12050149
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)
MMEMQPVSEZVECO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-7-1-2-8(12(18)5-7)10-6-21-15-9(13(10)19)3-4-11(17)14(15)20/h1-6,16-18,20H
SMILES (Click to copy)
C1(O)C=CC2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1O

Other Databases

HMDB ID
HMDB0134022
METABOLOMICS ID
FLIA3LNS0003
PubChem CID
5378260

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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