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CHEBI:191724 - Dihydroisoalantolactone

ChEBI IDCHEBI:191724
ChEBI NameDihydroisoalantolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@@]12C[C@@]3(C)CCCC(=C)[C@]3([H])C[C@]1([H])[C@H](C)C(=O)O2
InChIInChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-,13+,15+/m0/s1
InChIKeyYYJRTJYCOMIDIC-GGAZOKNXSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Dihydroisoalantolactone (CHEBI:191724) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[][1]benzouran-2-one
Manual XrefsDatabases
4953795ChemSpider
Registry NumbersSources
CAS:1856-58-2ChemIDplus