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CHEBI:747268 - didehydrocochliodone A

ChEBI IDCHEBI:747268
ChEBI Namedidehydrocochliodone A
Stars
Last Modified29 January 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H42O12
Net Charge0
Average Mass642.698
Monoisotopic Mass642.26763
SMILESCC(=O)O[C@@]1(C)C(=O)C(C2=C3C[C@@]4(CCC[C@H](C)O4)OCC3C(=O)[C@@](C)(OC(C)=O)C2=O)=C2C[C@@]3(CCC[C@H](C)O3)OCC2C1=O
InChIInChI=1S/C34H42O12/c1-17-9-7-11-33(43-17)13-21-23(15-41-33)27(37)31(5,45-19(3)35)29(39)25(21)26-22-14-34(12-8-10-18(2)44-34)42-16-24(22)28(38)32(6,30(26)40)46-20(4)36/h17-18,23-24H,7-16H2,1-6H3/t17-,18-,23?,24?,31+,32+,33-,34-/m0/s1
InChIKeyMHCFOSOKYSHQFL-GYPXLKIZSA-N
ChEBI Ontology
Outgoing Relation(s)
didehydrocochliodone A (CHEBI:747268) is a acetate ester (CHEBI:47622)
didehydrocochliodone A (CHEBI:747268) is a benzopyran (CHEBI:22727)
didehydrocochliodone A (CHEBI:747268) is a spiro compound (CHEBI:33599)
UniProt Name  Source
didehydrocochliodone AUniProt
Citations