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CHEBI:168721 - Ethylene brassylate

ChEBI IDCHEBI:168721
ChEBI NameEthylene brassylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESO=C1CCCCCCCCCCCC(=O)OCCO1
InChIInChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChIKeyXRHCAGNSDHCHFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ethylene brassylate (CHEBI:168721) is a macrolide (CHEBI:25106)
IUPAC Name 
1,4-dioxacycloheptadecane-5,17-dione
Manual XrefsDatabases
54974ChemSpider
HMDB0040459HMDB
Registry NumbersSources
CAS:105-95-3ChemIDplus