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CHEBI:221577 - Benzomalvin C

Default Structure
ChEBI IDCHEBI:221577
ChEBI NameBenzomalvin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H17N3O3
Net Charge0
Average Mass395.418
Monoisotopic Mass395.12699
SMILESCN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]12O[C@H]2c1ccccc1
InChIInChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24+/m0/s1
InChIKeyTWDKBDSVUUKABK-GBXCKJPGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (7518818)
ChEBI Ontology
Outgoing Relation(s)
Benzomalvin C (CHEBI:221577) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
Manual XrefsDatabases
22842375ChemSpider