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CHEBI:200783 - Benzomalvin A

ChEBI IDCHEBI:200783
ChEBI NameBenzomalvin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H19N3O2
Net Charge0
Average Mass381.435
Monoisotopic Mass381.14773
SMILESCN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H19N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-14,21H,15H2,1H3/t21-/m0/s1
InChIKeyYYWUABJYAOCACI-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (7518818)
ChEBI Ontology
Outgoing Relation(s)
Benzomalvin A (CHEBI:200783) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-7-benzyl-6-methyl-7H-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Manual XrefsDatabases
8243946ChemSpider