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CHEBI:80861 - Nigakilactone B

Default Structure
ChEBI IDCHEBI:80861
ChEBI NameNigakilactone B
Stars
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@@]12[C@H](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/C22H32O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10-13,15,17-19,24H,8-9H2,1-6H3/t10-,11-,12+,13+,15-,17-,18+,19+,21-,22+/m1/s1
InChIKeyDCUOEDHQKMLWHI-PJZZLEGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone B (CHEBI:80861) is a triterpenoid (CHEBI:36615)
Synonyms  Source
QuassinKEGG COMPOUND
Simalikalactone AKEGG COMPOUND
Manual XrefsDatabases
C17013KEGG COMPOUND
Registry NumbersSources
CAS:24148-77-4KEGG COMPOUND