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CHEBI:188300 - CAY10625

ChEBI IDCHEBI:188300
ChEBI NameCAY10625
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N4O4
Net Charge0
Average Mass446.507
Monoisotopic Mass446.19541
SMILESCCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C25H26N4O4/c1-2-3-4-5-6-10-15-27-22-14-13-20(29(32)33)16-18(22)17-21-23(27)26-25(31)28(24(21)30)19-11-8-7-9-12-19/h7-9,11-14,16-17H,2-6,10,15H2,1H3
InChIKeyBGABGXIVKDUNFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
CAY10625 (CHEBI:188300) is a nitro compound (CHEBI:35715)
CAY10625 (CHEBI:188300) is a quinolines (CHEBI:26513)
IUPAC Name 
7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
Manual XrefsDatabases
23157962ChemSpider