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CHEBI:214620 - Asperpentenone A

ChEBI IDCHEBI:214620
ChEBI NameAsperpentenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCC[C@H](C)[C@@]1(OC)O[C@@H](C)[C@]2(OC)C(=O)C(C)=C(OC)[C@H]12
InChIInChI=1S/C16H26O5/c1-8-9(2)16(20-7)13-12(18-5)10(3)14(17)15(13,19-6)11(4)21-16/h9,11,13H,8H2,1-7H3/t9-,11-,13-,15+,16+/m0/s1
InChIKeyVZWRSZHZOZCVLT-SJNCAWHOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2019.11.009)
ChEBI Ontology
Outgoing Relation(s)
Asperpentenone A (CHEBI:214620) is a ketal (CHEBI:59777)
IUPAC Name 
(1S,3R,3aS,6aS)-3-[(2S)-butan-2-yl]-3,4,6a-trimethoxy-1,5-dimethyl-1,3a-dihydrocyclopenta[c]uran-6-one