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CHEBI:215530 - Pestalamide D

ChEBI IDCHEBI:215530
ChEBI NamePestalamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O5
Net Charge0
Average Mass356.378
Monoisotopic Mass356.13722
SMILESCOC(=O)[C@@H](C)CC(=O)NC(=O)c1cnc(Cc2ccccc2)cc1=O
InChIInChI=1S/C19H20N2O5/c1-12(19(25)26-2)8-17(23)21-18(24)15-11-20-14(10-16(15)22)9-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)(H,21,23,24)/t12-/m0/s1
InChIKeyCWWVWMLHEAOINI-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32408190)
ChEBI Ontology
Outgoing Relation(s)
Pestalamide D (CHEBI:215530) has functional parent nicotinamide (CHEBI:17154)
Pestalamide D (CHEBI:215530) is a pyridinecarboxamide (CHEBI:25529)
IUPAC Name 
methyl (2S)-4-[(6-benzyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoate