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CHEBI:190859 - 2alpha-Hydroxyalantolactone

ChEBI IDCHEBI:190859
ChEBI Name2alpha-Hydroxyalantolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12C[C@@]3(C)C[C@@H](O)C[C@H](C)C3=C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3/t8-,10-,11+,13+,15+/m0/s1
InChIKeyFZSKLHDEGWSLTB-ATYMOLOSSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
2alpha-Hydroxyalantolactone (CHEBI:190859) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
Manual XrefsDatabases
111826ChemSpider
Registry NumbersSources
CAS:68776-45-4ChemIDplus