14-deoxy-oxacylododecindione (CHEBI:205487)

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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

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