CHEBI:192212 - Isoambrettolide

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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 Isoambrettolide
ChEBI ID CHEBI:192212
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/h1,3H,2,4-15H2/b3-1-
InChIKey QILMAYXCYBTEDM-IWQZZHSRSA-N
SMILES O1CCCCCCC=CCCCCCCCC1=O
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing Isoambrettolide (CHEBI:192212) is a macrolide (CHEBI:25106)
IUPAC Name
(10Z)-1-oxacycloheptadec-10-en-2-one
Manual Xrefs Databases
4511310 ChemSpider
HMDB0032340 HMDB
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Registry Number Type Source
28645-51-4 CAS Registry Number ChemIDplus