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CHEBI:3579 - Chaparrolide

Default Structure
ChEBI IDCHEBI:3579
ChEBI NameChaparrolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILES[H][C@@]12C(=O)[C@@H](O)[C@H](C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C[C@H](O)[C@@H](O)[C@]14C)[C@]23C
InChIInChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1
InChIKeyKBORUIMKALHADL-DXKQOFSOSA-N
ChEBI Ontology
Outgoing Relation(s)
Chaparrolide (CHEBI:3579) is a triterpenoid (CHEBI:36615)
Synonym  Source
ChaparrolideKEGG COMPOUND
Manual XrefsDatabases
C00003708KNApSAcK
C08758KEGG COMPOUND
Registry NumbersSources
CAS:33512-38-8KEGG COMPOUND