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CHEBI:192145 - Alloalantolactone

Default Structure
ChEBI IDCHEBI:192145
ChEBI NameAlloalantolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILES[H][C@@]12C[C@@]3(C)CCCC(C)=C3C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15-/m1/s1
InChIKeyOTDVFDVEFZSECW-UXIGCNINSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Alloalantolactone (CHEBI:192145) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
Manual XrefsDatabases
416620ChemSpider
Registry NumbersSources
CAS:64340-41-6ChemIDplus