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CHEBI:80890 - Picrasin B

Default Structure
ChEBI IDCHEBI:80890
ChEBI NamePicrasin B
Stars
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILES[H][C@@]12C(=O)C(OC)=C(C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C[C@H](O)C(=O)[C@]14C)[C@]23C
InChIInChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1
InChIKeyGESOKLRVLMVNMO-WCAPFRRUSA-N
ChEBI Ontology
Outgoing Relation(s)
Picrasin B (CHEBI:80890) is a triterpenoid (CHEBI:36615)
Synonym  Source
Nigakilactone IKEGG COMPOUND
Manual XrefsDatabases
C17050KEGG COMPOUND
Registry NumbersSources
CAS:26121-56-2KEGG COMPOUND