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CHEBI:80878 - Nigakilactone N

Default Structure
ChEBI IDCHEBI:80878
ChEBI NameNigakilactone N
Stars
DownloadsMolfile
FormulaC21H30O7
Net Charge0
Average Mass394.464
Monoisotopic Mass394.19915
SMILES[H][C@]12CC(=O)O[C@]3([H])C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@]([H])([C@H](O)[C@@H](O)[C@@]1(C)O)[C@]23C
InChIInChI=1S/C21H30O7/c1-9-6-11(27-5)17(24)19(2)10(9)7-13-20(3)12(8-14(22)28-13)21(4,26)18(25)15(23)16(19)20/h6,9-10,12-13,15-16,18,23,25-26H,7-8H2,1-5H3/t9-,10+,12-,13-,15+,16-,18-,19+,20-,21+/m1/s1
InChIKeyWNKCCKMAFDLLDA-CMYVXUCTSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone N (CHEBI:80878) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17036KEGG COMPOUND