Structure Database (LMSD)

Common Name
Parvisoflavanone
Systematic Name
Synonyms
LM ID
LMPK12050504
Formula
C17H16O7
Exact Mass
Calculate m/z
332.089605
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)
KPBUWUOWFRHOIU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O7/c1-22-16-9(3-4-11(19)17(16)23-2)10-7-24-13-6-8(18)5-12(20)14(13)15(10)21/h3-6,10,18-20H,7H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(O)C(OC)=C3OC)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
140137
METABOLOMICS ID
FLIBALNS0006
PubChem CID
44257394

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.83
Topological Polar Surface Area 107.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.46
Molar Refractivity 84.04

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Updated at
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