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CHEBI:210426 - Polonimide A

ChEBI IDCHEBI:210426
ChEBI NamePolonimide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21N3O4
Net Charge0
Average Mass355.394
Monoisotopic Mass355.15321
SMILESCOC(=O)CC[C@H]1C(=O)N/C(=C\C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C19H21N3O4/c1-11(2)10-14-17-20-13-7-5-4-6-12(13)19(25)22(17)15(18(24)21-14)8-9-16(23)26-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,21,24)/b14-10-/t15-/m0/s1
InChIKeyWDLPIOMVJYAOJS-LTBFUDJGSA-N
Species of MetaboliteComponentSourceComments
Penicillium polonicum (ncbitaxon:60169) - PubMed (32967228)
ChEBI Ontology
Outgoing Relation(s)
Polonimide A (CHEBI:210426) is a quinazolines (CHEBI:38530)
IUPAC Name 
methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate
Manual XrefsDatabases
92169432ChemSpider