Structure Database (LMSD)

Systematic Name
5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
Synonyms
LM ID
LMPK12050434
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
GWHLXSNSYSNMEV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-13-4-3-8(5-10(13)18)9-7-24-17-14(15(9)21)11(19)6-12(20)16(17)23-2/h3-7,18-20H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC=C(C3C=CC(OC)=C(O)C=3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIAFCNS0001
PubChem CID
5745466

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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