CHEBI:90267 - 11β,13-dihydrolactucin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11β,13-dihydrolactucin
ChEBI ASCII Name 11beta,13-dihydrolactucin
Definition A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:90216
Supplier Information
Download Molfile XML SDF
Formula C15H18O5
Net Charge 0
Average Mass 278.301
Monoisotopic Mass 278.11542
InChI InChI=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
SMILES OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)[C@@H](C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]
Metabolite of Species Details
Cichorium intybus (NCBI:txid13427) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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)
Synonym Source
11,13-dihydrolactucin ChEBI
Manual Xref Database
C00020578 KNApSAcK
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Registry Number Type Source
5760815 Reaxys Registry Number Reaxys
Last Modified
16 June 2016