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CHEBI:180521 - D6-Ambrettolide

ChEBI IDCHEBI:180521
ChEBI NameD6-Ambrettolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O2
Net Charge0
Average Mass252.398
Monoisotopic Mass252.20893
SMILESO=C1CCCC/C=C/CCCCCCCCCO1
InChIInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+
InChIKeyHMWPDRYGIBLSHB-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
D6-Ambrettolide (CHEBI:180521) is a macrolide (CHEBI:25106)
IUPAC Name 
(7E)-1-oxacycloheptadec-7-en-2-one
Manual XrefsDatabases
4728920ChemSpider
HMDB0037805HMDB
Registry NumbersSources
CAS:223104-10-7ChemIDplus