CHEBI:180521 - D6-Ambrettolide

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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 D6-Ambrettolide
ChEBI ID CHEBI:180521
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H28O2
Net Charge 0
Average Mass 252.398
Monoisotopic Mass 252.20893
InChI InChI=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+
InChIKey HMWPDRYGIBLSHB-GQCTYLIASA-N
SMILES O1CCCCCCCCCC=CCCCCC1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing D6-Ambrettolide (CHEBI:180521) is a macrolide (CHEBI:25106)
IUPAC Name
(7E)-1-oxacycloheptadec-7-en-2-one
Manual Xrefs Databases
4728920 ChemSpider
HMDB0037805 HMDB
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Registry Number Type Source
223104-10-7 CAS Registry Number ChemIDplus