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CHEBI:219408 - (+)-penicilliumine

ChEBI IDCHEBI:219408
ChEBI Name(+)-penicilliumine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N4O5
Net Charge0
Average Mass396.403
Monoisotopic Mass396.14337
SMILESC[C@@](O)(C(=O)Nc1ccccc1C(N)=O)[C@](C)(O)c1nc(=O)c2ccccc2n1
InChIInChI=1S/C20H20N4O5/c1-19(28,17-22-14-10-6-4-8-12(14)16(26)24-17)20(2,29)18(27)23-13-9-5-3-7-11(13)15(21)25/h3-10,28-29H,1-2H3,(H2,21,25)(H,23,27)(H,22,24,26)/t19-,20-/m1/s1
InChIKeyKYKOXPRKACLASR-WOJBJXKFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2014.03.031)
ChEBI Ontology
Outgoing Relation(s)
(+)-penicilliumine (CHEBI:219408) is a quinazolines (CHEBI:38530)
IUPAC Name 
2-[[(2S,3R)-2,3-dihydroxy-2-methyl-3-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]benzamide
Manual XrefsDatabases
32675107ChemSpider