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CHEBI:168744 - Ecklonialactone A

ChEBI IDCHEBI:168744
ChEBI NameEcklonialactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILES[H][C@@]12C[C@@H]3O[C@@H]3[C@@]1([H])/C=C\C/C=C\CCCCC(=O)O[C@H]2CC
InChIInChI=1S/C18H26O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1
InChIKeyGZNRNQVZDUCYFB-SOVGUPCDSA-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)
Ecklonialactone A (CHEBI:168744) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2S,9Z,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadeca-9,12-dien-4-one
Manual XrefsDatabases
10474881ChemSpider