CHEBI:190859 - 2alpha-Hydroxyalantolactone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2alpha-Hydroxyalantolactone
ChEBI ID CHEBI:190859
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O3
Net Charge 0
Average Mass 248.322
Monoisotopic Mass 248.14124
InChI InChI=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
InChIKey FZSKLHDEGWSLTB-ATYMOLOSSA-N
SMILES O1[C@@]2(C[C@@]3(C([C@H](C[C@H](O)C3)C)=C[C@@]2(C(C1=O)=C)[H])C)[H]
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
111826 ChemSpider
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Registry Number Type Source
68776-45-4 CAS Registry Number ChemIDplus