CHEBI:168721 - Ethylene brassylate

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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 Ethylene brassylate
ChEBI ID CHEBI:168721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H26O4
Net Charge 0
Average Mass 270.369
Monoisotopic Mass 270.18311
InChI InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChIKey XRHCAGNSDHCHFJ-UHFFFAOYSA-N
SMILES O1C(=O)CCCCCCCCCCCC(OCC1)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Ethylene brassylate (CHEBI:168721) is a macrolide (CHEBI:25106)
IUPAC Name
1,4-dioxacycloheptadecane-5,17-dione
Manual Xrefs Databases
54974 ChemSpider
HMDB0040459 HMDB
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Registry Number Type Source
105-95-3 CAS Registry Number ChemIDplus