CHEBI:168744 - Ecklonialactone A

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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 Ecklonialactone A
ChEBI ID CHEBI:168744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O3
Net Charge 0
Average Mass 290.403
Monoisotopic Mass 290.18819
InChI InChI=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
InChIKey GZNRNQVZDUCYFB-SOVGUPCDSA-N
SMILES O1[C@H]2[C@@H]1C[C@@]3([C@@]2(C=CCC=CCCCCC(O[C@H]3CC)=O)[H])[H]
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 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 Xref Database
10474881 ChemSpider
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