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CHEBI:80875 - Nigakilactone K

Default Structure
ChEBI IDCHEBI:80875
ChEBI NameNigakilactone K
Stars
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@@]12[C@H](O)[C@@H](OC)[C@@](C)(O)C3=CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@@]32C
InChIInChI=1S/C22H30O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,9-11,14,16-17,19,24,26H,8H2,1-6H3/t10-,11+,14-,16+,17-,19-,20+,21-,22+/m1/s1
InChIKeySNMPZKRDNBYWNT-WFIBXBHZSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigakilactone K (CHEBI:80875) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17033KEGG COMPOUND