EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:144221 - Crustinic acid

Default Structure
ChEBI IDCHEBI:144221
ChEBI NameCrustinic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC24H20O11
Net Charge0
Average Mass484.413
Monoisotopic Mass484.10056
SMILESCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)Oc2c(O)cc(O)c(C(=O)O)c2C)c(O)c1
InChIInChI=1S/C24H20O11/c1-9-4-12(25)6-14(26)18(9)23(32)34-13-5-10(2)19(15(27)7-13)24(33)35-21-11(3)20(22(30)31)16(28)8-17(21)29/h4-8,25-29H,1-3H3,(H,30,31)
InChIKeyPXEWPVIKVBSHLU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Crustinic acid (CHEBI:144221) is a carbonyl compound (CHEBI:36586)