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CHEBI:212959 - Verrucine A

ChEBI IDCHEBI:212959
ChEBI NameVerrucine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N4O3
Net Charge0
Average Mass376.416
Monoisotopic Mass376.15354
SMILESNC(=O)CC[C@H]1C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C21H20N4O3/c22-18(26)11-10-17-20(27)24-16(12-13-6-2-1-3-7-13)19-23-15-9-5-4-8-14(15)21(28)25(17)19/h1-9,16-17H,10-12H2,(H2,22,26)(H,24,27)/t16-,17-/m0/s1
InChIKeyLISCNUCDEMJKLE-IRXDYDNUSA-N
Species of MetaboliteComponentSourceComments
Penicillium verrucosum (ncbitaxon:60171) - PubMed (10579880)
ChEBI Ontology
Outgoing Relation(s)
Verrucine A (CHEBI:212959) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-[(1S,4S)-1-benzyl-3,6-dioxo-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Manual XrefsDatabases
8984833ChemSpider