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CHEBI:203209 - 1''-acetylaporpinone B

ChEBI IDCHEBI:203209
ChEBI Name1''-acetylaporpinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O5
Net Charge0
Average Mass234.207
Monoisotopic Mass234.05282
SMILESCC(=O)OC/C(C#C[C@@H]1CO1)=C1\C=CC(=O)O1
InChIInChI=1S/C12H10O5/c1-8(13)15-6-9(2-3-10-7-16-10)11-4-5-12(14)17-11/h4-5,10H,6-7H2,1H3/b11-9+/t10-/m1/s1
InChIKeyACUGOKQSBBMKIL-OYVNLZQHSA-N
Species of MetaboliteComponentSourceComments
Elmerina caryae (ncbitaxon:1211726) - DOI (10.1016/s0031-9422(02)00455-7)
ChEBI Ontology
Outgoing Relation(s)
1''-acetylaporpinone B (CHEBI:203209) is a butenolide (CHEBI:50523)
IUPAC Name 
[(2E)-4-(oxiran-2-yl)-2-(5-oxouran-2-ylidene)but-3-ynyl] acetate
Manual XrefsDatabases
9950866ChemSpider