Structure database (LMSD)

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LM IDLMPK12140012
Common NameOvaliflavanone B
Systematic Name-
Synonyms-
Exact Mass
308.1412 (neutral)    Calculate m/z:
FormulaC20H20O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID480762
METABOLOMICS IDFL2F19NI0003
InChIKeyZBNBGEUTJNZRKT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
300.93Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.61Molar
Refractivity
90.00