EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144195 - Pinastric acid

ChEBI IDCHEBI:144195
ChEBI NamePinastric acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H16O6
Net Charge0
Average Mass352.342
Monoisotopic Mass352.09469
SMILESCOC(=O)/C(=C1\OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccccc1
InChIInChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16-
InChIKeyKXQKSBAGVQMQSN-VLGSPTGOSA-N
ChEBI Ontology
Outgoing Relation(s)
Pinastric acid (CHEBI:144195) is a methoxybenzenes (CHEBI:51683)