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CHEBI:227827 - Penipyridone E

ChEBI IDCHEBI:227827
ChEBI NamePenipyridone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18N2O5
Net Charge0
Average Mass330.340
Monoisotopic Mass330.12157
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(N)=O)cn1CCO
InChIInChI=1S/C17H18N2O5/c1-11(21)24-16(12-5-3-2-4-6-12)14-9-15(22)13(17(18)23)10-19(14)7-8-20/h2-6,9-10,16,20H,7-8H2,1H3,(H2,18,23)/t16-/m0/s1
InChIKeyAKHVMRKKBSRGDN-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27359163)
ChEBI Ontology
Outgoing Relation(s)
Penipyridone E (CHEBI:227827) has functional parent benzyl alcohol (CHEBI:17987)
Penipyridone E (CHEBI:227827) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxopyridin-2-yl]-phenylmethyl] acetate
Manual XrefsDatabases
76768775ChemSpider