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CHEBI:2313 - 8-Deoxylactucin

ChEBI IDCHEBI:2313
ChEBI Name8-Deoxylactucin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H16O4
Net Charge0
Average Mass260.289
Monoisotopic Mass260.10486
SMILES[H][C@]12C(CO)=CC(=O)C1=C(C)CC[C@@]1([H])C(=C)C(=O)O[C@]21[H]
InChIInChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1
InChIKeyNIYXMGSLECQTQT-BPNCWPANSA-N
ChEBI Ontology
Outgoing Relation(s)
8-Deoxylactucin (CHEBI:2313) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
8-DeoxylactucinKEGG COMPOUND
Manual XrefsDatabases
C09392KEGG COMPOUND
C00003247KNApSAcK
Registry NumbersSources
CAS:65725-10-2KEGG COMPOUND