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CHEBI:32303 - Xanthoxic acid

ChEBI IDCHEBI:32303
ChEBI NameXanthoxic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(=C/C(=O)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChIInChI=1S/C15H22O4/c1-10(7-12(17)18)5-6-15-13(2,3)8-11(16)9-14(15,4)19-15/h5-7,11,16H,8-9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t11-,14+,15-/m0/s1
InChIKeyXTFOFYSQUZTRGJ-SAZLWWCESA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthoxic acid (CHEBI:32303) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
Synonym  Source
Xanthoxic acidKEGG COMPOUND
Manual XrefsDatabases
C13454KEGG COMPOUND