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CHEBI:192839 - 1beta-Hydroxyalantolactone

ChEBI IDCHEBI:192839
ChEBI Name1beta-Hydroxyalantolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12C[C@]3(C)C(=C[C@]1([H])C(=C)C(=O)O2)[C@@H](C)CC[C@H]3O
InChIInChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
InChIKeyFRNIMDDQCZHAFA-SCFTVSGOSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
1beta-Hydroxyalantolactone (CHEBI:192839) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aR,5S,8R,8aR,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
Manual XrefsDatabases
57257026ChemSpider