Structure database (LMSD)

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LM IDLMPK12070031
Common Name(-)-Homopterocarpin
Systematic Name3,9-Dimethoxypterocarpan
SynonymsBaphinitone
Exact Mass
284.1049 (neutral)    Calculate m/z:
FormulaC17H16O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID454892
METABOLOMICS IDFLID1ANS0004
InChIKeyVPGIGLKLCFOWDN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3
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SMILES
C1(OC)C=CC2C3OC4=CC(OC)=CC=C4C3COC=2C=1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
250.74Topological Polar
Surface Area
41.06Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP3.60Molar
Refractivity
78.08