EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:144283 - Obtusatic acid

Default Structure
ChEBI IDCHEBI:144283
ChEBI NameObtusatic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1C
InChIInChI=1S/C18H18O7/c1-8-5-11(7-12(19)14(8)17(21)22)25-18(23)15-9(2)6-13(24-4)10(3)16(15)20/h5-7,19-20H,1-4H3,(H,21,22)
InChIKeyGEZCJRBINSDUSC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Obtusatic acid (CHEBI:144283) is a carbonyl compound (CHEBI:36586)