EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:144224 - Decarboxythamnolic acid

Default Structure
ChEBI IDCHEBI:144224
ChEBI NameDecarboxythamnolic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOc1cc(C)c(C(=O)Oc2c(C)cc(O)c(C=O)c2O)c(O)c1C(=O)O
InChIInChI=1S/C18H16O9/c1-7-5-11(26-3)13(17(23)24)15(22)12(7)18(25)27-16-8(2)4-10(20)9(6-19)14(16)21/h4-6,20-22H,1-3H3,(H,23,24)
InChIKeyJQHGZAGUFPJYDL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Decarboxythamnolic acid (CHEBI:144224) is a carbonyl compound (CHEBI:36586)