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CHEBI:80872 - Nigakilactone E

Default Structure
ChEBI IDCHEBI:80872
ChEBI NameNigakilactone E
Stars
DownloadsMolfile
FormulaC24H34O8
Net Charge0
Average Mass450.528
Monoisotopic Mass450.22537
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](OC(C)=O)[C@@H](OC)[C@@]1(C)O)[C@]23C
InChIInChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3/t11-,13+,15-,16-,18+,19-,21-,22+,23-,24+/m1/s1
InChIKeyISYHXQAQWVPQKA-SNPVAWBPSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone E (CHEBI:80872) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17030KEGG COMPOUND
Registry NumbersSources
CAS:28360-79-4KEGG COMPOUND