Structure database (LMSD)

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LM IDLMPK12050033
Common NameCorylin
Systematic Name-
Synonyms-
Exact Mass
320.1049 (neutral)    Calculate m/z:
FormulaC20H16O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5316097
METABOLOMICS IDFLIA1ANP0001
InChIKeyPWAACAMQKVIVPZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
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SMILES
C1(O)=CC2OC=C(C3C=CC4OC(C)(C)C=CC=4C=3)C(=O)C=2C=C1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
283.82Topological Polar
Surface Area
61.74Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP5.54Molar
Refractivity
93.95