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CHEBI:90267 - 11β,13-dihydrolactucin

ChEBI IDCHEBI:90267
ChEBI Name11β,13-dihydrolactucin
Stars
ASCII Name11beta,13-dihydrolactucin
DefinitionA sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory
Secondary ChEBI IDCHEBI:90216
Last Modified16 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILES[H][C@]12C(CO)=CC(=O)C1=C(C)C[C@H](O)[C@@]1([H])[C@H](C)C(=O)O[C@]21[H]
InChIInChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9-,12+,13-,14-/m0/s1
InChIKeyZHZZKRDEPZMPLJ-WLVQVHLUSA-N
Species of MetaboliteComponentSourceComments
Cichorium intybus (ncbitaxon:13427) - MetaboLights (MTBLS270)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
11β,13-dihydrolactucin (CHEBI:90267) has functional parent lactucin (CHEBI:6358)
11β,13-dihydrolactucin (CHEBI:90267) has role plant metabolite (CHEBI:76924)
11β,13-dihydrolactucin (CHEBI:90267) is a azulenofuran (CHEBI:39433)
11β,13-dihydrolactucin (CHEBI:90267) is a cyclic terpene ketone (CHEBI:36130)
11β,13-dihydrolactucin (CHEBI:90267) is a enone (CHEBI:51689)
11β,13-dihydrolactucin (CHEBI:90267) is a primary alcohol (CHEBI:15734)
11β,13-dihydrolactucin (CHEBI:90267) is a secondary alcohol (CHEBI:35681)
11β,13-dihydrolactucin (CHEBI:90267) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Synonym  Source
11,13-dihydrolactucinChEBI
Manual XrefsDatabases
C00020578KNApSAcK
Registry NumbersSources
Reaxys:5760815Reaxys