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CHEBI:201951 - [(3R)-3-[(2S,3S,5R,6R)-6-(4-hydroxy-1-methoxy-2-oxo-5-phenylpyridin-3-yl)-3,5-dimethyloxan-2-yl]butyl] acetate

ChEBI IDCHEBI:201951
ChEBI Name[(3R)-3-[(2S,3S,5R,6R)-6-(4-hydroxy-1-methoxy-2-oxo-5-phenylpyridin-3-yl)-3,5-dimethyloxan-2-yl]butyl] acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO6
Net Charge0
Average Mass443.540
Monoisotopic Mass443.23079
SMILESCOn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)CCOC(C)=O)[C@@H](C)C[C@H]2C)c1=O
InChIInChI=1S/C25H33NO6/c1-15(11-12-31-18(4)27)23-16(2)13-17(3)24(32-23)21-22(28)20(14-26(30-5)25(21)29)19-9-7-6-8-10-19/h6-10,14-17,23-24,28H,11-13H2,1-5H3/t15-,16+,17-,23-,24-/m1/s1
InChIKeyDLKYWTQMMDJTIW-HSIIQGLMSA-N
Species of MetaboliteComponentSourceComments
Septoria (ncbitaxon:39702) - PubMed (20550123)
ChEBI Ontology
Outgoing Relation(s)
[(3R)-3-[(2S,3S,5R,6R)-6-(4-hydroxy-1-methoxy-2-oxo-5-phenylpyridin-3-yl)-3,5-dimethyloxan-2-yl]butyl] acetate (CHEBI:201951) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
[(3R)-3-[(2S,3S,5R,6R)-6-(4-hydroxy-1-methoxy-2-oxo-5-phenylpyridin-3-yl)-3,5-dimethyloxan-2-yl]butyl] acetate
Manual XrefsDatabases
25049268ChemSpider