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CHEBI:3356 - Canin

ChEBI IDCHEBI:3356
ChEBI NameCanin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILES[H][C@@]12O[C@]13[C@@]([H])([C@@]1([H])OC(=O)C(=C)[C@]1([H])CC[C@@]3(C)O)[C@]1(C)O[C@]21[H]
InChIInChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1
InChIKeyKXLUWEYBZBGJRZ-POEOZHCLSA-N
ChEBI Ontology
Outgoing Relation(s)
Canin (CHEBI:3356) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
CaninKEGG COMPOUND
Manual XrefsDatabases
C09354KEGG COMPOUND
C00000238KNApSAcK
Registry NumbersSources
CAS:24959-84-0KEGG COMPOUND