CHEBI:198225 - (3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione

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ChEBI Name (3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
ChEBI ID CHEBI:198225
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O6
Net Charge 0
Average Mass 382.497
Monoisotopic Mass 382.23554
InChI InChI=1S/C21H34O6/c1-5-15-11-17-7-9-18(26-17)13(3)20(22)24-12(2)10-16-6-8-19(25-16)14(4)21(23)27-15/h12-19H,5-11H2,1-4H3/t12-,13+,14+,15-,16-,17-,18+,19+/m1/s1
InChIKey VLXJANUFVJNWKB-IDBRTZOQSA-N
SMILES O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H]1C)CC3)C)C)CC2)CC
Metabolite of Species Details
Streptomyces globisporus (NCBI:txid1908) See: DOI
ChEBI Ontology
Outgoing (3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione (CHEBI:198225) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,5R,7R,10S,11S,14R,16R)-5-ethyl-2,11,14-trimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
9421074 ChemSpider
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