CHEBI:205487 - 14-deoxy-oxacylododecindione

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 14-deoxy-oxacylododecindione
ChEBI ID CHEBI:205487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H21ClO5
Net Charge 0
Average Mass 352.810
Monoisotopic Mass 352.10775
InChI InChI=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+
InChIKey SQFBFKKGAWCQAU-UXBLZVDNSA-N
SMILES ClC1=C(O)C=C(O)C2=C1CC(=O)OC(C(C)CCC=C(C2=O)C)C
Metabolite of Species Details
Exserohilum rostratum (NCBI:txid1659837) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58989316 ChemSpider
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