Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12050034
Common NameErythrinin A
Systematic Name-
Synonyms-
Exact Mass
320.1049 (neutral)    Calculate m/z:
FormulaC20H16O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID10381321
METABOLOMICS IDFLIA1ANP0002
InChIKeyGGGQCONNJCHXIR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-15-18(10-17(13)24-20)23-11-16(19(15)22)12-3-5-14(21)6-4-12/h3-11,21H,1-2H3
Click to highlight InChI
SMILES
C12OC(C)(C)C=CC1=CC1C(=O)C(C3C=CC(O)=CC=3)=COC=1C=2
Click to highlight SMILES
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