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CHEBI:177830 - (+)-Alantolactone

ChEBI IDCHEBI:177830
ChEBI Name(+)-Alantolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILESC=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3
InChIKeyPXOYOCNNSUAQNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(+)-Alantolactone (CHEBI:177830) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
Manual XrefsDatabases
21169333ChemSpider
HMDB0035906HMDB
Registry NumbersSources
CAS:1407-14-3ChemIDplus