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CHEBI:205487 - 14-deoxy-oxacylododecindione

ChEBI IDCHEBI:205487
ChEBI Name14-deoxy-oxacylododecindione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21ClO5
Net Charge0
Average Mass352.814
Monoisotopic Mass352.10775
SMILESC/C1=C\CCC(C)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
InChIInChI=1S/C18H21ClO5/c1-9-5-4-6-10(2)18(23)16-12(7-15(22)24-11(9)3)17(19)14(21)8-13(16)20/h6,8-9,11,20-21H,4-5,7H2,1-3H3/b10-6+
InChIKeySQFBFKKGAWCQAU-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Exserohilum rostratum (ncbitaxon:1659837) - PubMed (25537529)
ChEBI Ontology
Outgoing Relation(s)
14-deoxy-oxacylododecindione (CHEBI:205487) is a macrolide (CHEBI:25106)
IUPAC Name 
(9E)-16-chloro-13,15-dihydroxy-5,6,10-trimethyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
Manual XrefsDatabases
58989316ChemSpider