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CHEBI:80871 - Nigakilactone C

Default Structure
ChEBI IDCHEBI:80871
ChEBI NameNigakilactone C
Stars
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
SMILES[H][C@@]12[C@H](OC(C)=O)[C@@H](OC)[C@H](C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@]23C
InChIInChI=1S/C24H34O7/c1-11-8-16(28-6)22(27)24(5)14(11)9-17-23(4)15(10-18(26)31-17)12(2)19(29-7)20(21(23)24)30-13(3)25/h8,11-12,14-15,17,19-21H,9-10H2,1-7H3/t11-,12-,14+,15+,17-,19+,20-,21+,23-,24+/m1/s1
InChIKeyJFFUKRBVELYCPJ-FIKFPIMESA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone C (CHEBI:80871) is a triterpenoid (CHEBI:36615)
Synonym  Source
QuassinKEGG COMPOUND
Manual XrefsDatabases
C17029KEGG COMPOUND
Registry NumbersSources
CAS:24148-78-5KEGG COMPOUND