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CHEBI:80874 - Nigakilactone H

Default Structure
ChEBI IDCHEBI:80874
ChEBI NameNigakilactone H
Stars
DownloadsMolfile
FormulaC22H32O8
Net Charge0
Average Mass424.490
Monoisotopic Mass424.20972
SMILES[H][C@@]12[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]3(O)CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@@]32C
InChIInChI=1S/C22H32O8/c1-10-7-12(28-5)17(25)19(2)11(10)8-13-20(3)16(19)15(24)18(29-6)21(4,26)22(20,27)9-14(23)30-13/h7,10-11,13,15-16,18,24,26-27H,8-9H2,1-6H3/t10-,11+,13-,15+,16-,18-,19+,20-,21-,22+/m1/s1
InChIKeyWTMHOKZZJFYIGE-FCESQLEQSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone H (CHEBI:80874) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17032KEGG COMPOUND
Registry NumbersSources
CAS:30248-06-7KEGG COMPOUND