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CHEBI:228838 - 1-O-Acetylbritannilactone

ChEBI IDCHEBI:228838
ChEBI Name1-O-Acetylbritannilactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILES[H][C@@]12CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](O)[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1
InChIKeyQKUFZFLZBUSEHN-CZLJMHDISA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
1-O-Acetylbritannilactone (CHEBI:228838) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4S)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzouran-5-yl]pentyl] acetate
Manual XrefsDatabases
35308423ChemSpider