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CHEBI:197146 - Annuolide A

ChEBI IDCHEBI:197146
ChEBI NameAnnuolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CCC(=C)[C@]1([H])CC=C(CO)[C@]21[H]
InChIInChI=1S/C15H18O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,11-14,16H,1-3,5-7H2/t11-,12-,13-,14-/m0/s1
InChIKeyXIKLPPAERLRBPO-XUXIUFHCSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Annuolide A (CHEBI:197146) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aS,6aR,9aR,9bS)-9-(hydroxymethyl)-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]uran-2-one
Manual XrefsDatabases
24706168ChemSpider