CHEBI:192839 - 1beta-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 1beta-Hydroxyalantolactone
ChEBI ID CHEBI:192839
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/c1-8-4-5-13(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
InChIKey FRNIMDDQCZHAFA-SCFTVSGOSA-N
SMILES O1[C@@]2(C[C@@]3(C([C@H](CC[C@H]3O)C)=C[C@@]2(C(C1=O)=C)[H])C)[H]
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
57257026 ChemSpider
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