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CHEBI:80853 - Neocnidilide

ChEBI IDCHEBI:80853
ChEBI NameNeocnidilide
Stars
DownloadsMolfile
FormulaC12H18O2
Net Charge0
Average Mass194.274
Monoisotopic Mass194.13068
SMILES[H][C@@]12CCCC=C1C(=O)O[C@H]2CCCC
InChIInChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
InChIKeyUPJFTVFLSIQQAV-KOLCDFICSA-N
ChEBI Ontology
Outgoing Relation(s)
Neocnidilide (CHEBI:80853) is a γ-lactone (CHEBI:37581)
Manual XrefsDatabases
C17002KEGG COMPOUND
Registry NumbersSources
CAS:4567-33-3KEGG COMPOUND