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CHEBI:80876 - Nigakilactone L

Default Structure
ChEBI IDCHEBI:80876
ChEBI NameNigakilactone L
Stars
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@@]12[C@@H]3OCO[C@H]3[C@@](C)(O)C3CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@@]32C
InChIInChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13?,14-,16+,17-,19-,20+,21-,22+/m1/s1
InChIKeyDUAQCTANPNATFA-IXRXLRCOSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone L (CHEBI:80876) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17034KEGG COMPOUND
Registry NumbersSources
CAS:35334-40-8KEGG COMPOUND