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CHEBI:200440 - Aogacillin B

ChEBI IDCHEBI:200440
ChEBI NameAogacillin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1C(=O)[C@@](C)(O)C(=O)O[C@@]12C(C)CCCC2CC
InChIInChI=1S/C15H22O4/c1-5-11-8-6-7-9(2)15(11)10(3)12(16)14(4,18)13(17)19-15/h9,11,18H,3,5-8H2,1-2,4H3/t9?,11?,14-,15+/m1/s1
InChIKeyBOSZFTJTEITMLK-JHTJDRHZSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (24004199)
ChEBI Ontology
Outgoing Relation(s)
Aogacillin B (CHEBI:200440) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3R,6R)-11-ethyl-3-hydroxy-3,7-dimethyl-5-methylidene-1-oxaspiro[5.5]undecane-2,4-dione
Manual XrefsDatabases
78436621ChemSpider