11beta,13-dihydrolactucin (CHEBI:90267)

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ChEBI Name	11β,13-dihydrolactucin

ChEBI ID	CHEBI:90267

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

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

InChIKey

ZHZZKRDEPZMPLJ-WLVQVHLUSA-N

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.

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)

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-dihydrolactucin	ChEBI

Registry Number	Type	Source
5760815	Reaxys Registry Number	Reaxys

Last Modified

16 June 2016