Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12130001
Common Name-
Systematic NameFurano[2'',3'':6,7]aurone
Synonyms-
Exact Mass
262.0630 (neutral)    Calculate m/z:
FormulaC17H10O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607738
METABOLOMICS IDFL1A19NF0001
InChIKeyYVBYFIDGVMQYJN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H10O3/c18-16-13-6-7-14-12(8-9-19-14)17(13)20-15(16)10-11-4-2-1-3-5-1
1/h1-10H
SMILESC12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
223.13Topological Polar
Surface Area
41.51Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP4.05Molar
Refractivity
75.59