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CHEBI:144217 - Colensoic acid

Default Structure
ChEBI IDCHEBI:144217
ChEBI NameColensoic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H30O7
Net Charge0
Average Mass442.508
Monoisotopic Mass442.19915
SMILESCCCCCc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2
InChIInChI=1S/C25H30O7/c1-4-6-8-10-15-12-16(30-3)13-19-21(15)25(29)32-20-14-18(26)22(24(27)28)17(23(20)31-19)11-9-7-5-2/h12-14,26H,4-11H2,1-3H3,(H,27,28)
InChIKeyRWVJYKHAFMWADK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Colensoic acid (CHEBI:144217) is a carbonyl compound (CHEBI:36586)