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CHEBI:80860 - Nigakilactone A

Default Structure
ChEBI IDCHEBI:80860
ChEBI NameNigakilactone A
Stars
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILES[H][C@@]12[C@H](O)[C@@H](O)[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/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14,16-18,23-24H,7-8H2,1-5H3/t9-,10-,11+,12+,14-,16+,17-,18+,20-,21+/m1/s1
InChIKeyZIVURVYGGHVTQO-CUCOLZSJSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone A (CHEBI:80860) is a triterpenoid (CHEBI:36615)
Synonym  Source
QuassinKEGG COMPOUND
Manual XrefsDatabases
C17012KEGG COMPOUND