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CHEBI:10058 - Xanthatin

ChEBI IDCHEBI:10058
ChEBI NameXanthatin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILES[H][C@]12C[C@H](C)C(/C=C/C(C)=O)=CC[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
InChIKeyRBRPTFMVULVGIC-ZTIIIDENSA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthatin (CHEBI:10058) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
XanthatinKEGG COMPOUND
Manual XrefsDatabases
C09601KEGG COMPOUND
C00003394KNApSAcK
Registry NumbersSources
CAS:26791-73-1KEGG COMPOUND