Structure Database (LMSD)

Common Name
Ovaliflavanone B
Systematic Name
Synonyms
LM ID
LMPK12140012
Formula
C20H20O3
Exact Mass
Calculate m/z
308.141245
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
ZBNBGEUTJNZRKT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O3/c1-13(2)8-9-15-17(21)11-10-16-18(22)12-19(23-20(15)16)14-6-4-3-5-7-14/h3-8,10-11,19,21H,9,12H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

Other Databases

CHEBI ID
196254
METABOLOMICS ID
FL2F19NI0003
PubChem CID
480762

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 300.93
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.61
Molar Refractivity 90.00

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Updated at
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