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CHEBI:200549 - Erythronolide I

ChEBI IDCHEBI:200549
ChEBI NameErythronolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC[C@@H](O)[C@@]1(C)O[C@]2(O[C@@](C)([C@@H]3OC(=O)C(C)=C[C@@H]3C)C[C@H]2C)[C@H](C)[C@H]1O
InChIInChI=1S/C21H34O6/c1-8-15(22)20(7)16(23)14(5)21(27-20)13(4)10-19(6,26-21)17-11(2)9-12(3)18(24)25-17/h9,11,13-17,22-23H,8,10H2,1-7H3/t11-,13+,14+,15+,16+,17+,19+,20+,21-/m0/s1
InChIKeyPUWSWDPZBXOVMY-BHHRPFDZSA-N
Species of MetaboliteComponentSourceComments
Actinopolyspora (ncbitaxon:1849) - PubMed (19228040)
ChEBI Ontology
Outgoing Relation(s)
Erythronolide I (CHEBI:200549) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3S)-2-[(2R,3R,4R,5S,7R,9R)-3-hydroxy-2-[(1R)-1-hydroxypropyl]-2,4,7,9-tetramethyl-1,6-dioxaspiro[4.4]nonan-7-yl]-3,5-dimethyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
78436630ChemSpider