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CHEBI:203372 - 17-acetoxy-N-(O-methyl)septoriamycin A

ChEBI IDCHEBI:203372
ChEBI Name17-acetoxy-N-(O-methyl)septoriamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO6
Net Charge0
Average Mass443.540
Monoisotopic Mass443.23079
SMILESCC[C@@H](COC(C)=O)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@@H]1C
InChIInChI=1S/C25H33NO6/c1-6-18(14-31-17(4)27)23-15(2)12-16(3)24(32-23)21-22(28)20(13-26(30-5)25(21)29)19-10-8-7-9-11-19/h7-11,13,15-16,18,23-24,28H,6,12,14H2,1-5H3/t15-,16+,18-,23-,24+/m0/s1
InChIKeyHUJYPQDJLWLYGI-VWCPFRDSSA-N
Species of MetaboliteComponentSourceComments
Septoria (ncbitaxon:39702) - PubMed (22530813)
ChEBI Ontology
Outgoing Relation(s)
17-acetoxy-N-(O-methyl)septoriamycin A (CHEBI:203372) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
[(2S)-2-[(2S,3S,5R,6R)-6-(4-hydroxy-1-methoxy-2-oxo-5-phenylpyridin-3-yl)-3,5-dimethyloxan-2-yl]butyl] acetate
Manual XrefsDatabases
78442570ChemSpider