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CHEBI:177558 - Apaziquone

ChEBI IDCHEBI:177558
ChEBI NameApaziquone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16N2O4
Net Charge0
Average Mass288.303
Monoisotopic Mass288.11101
SMILESCn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O
InChIInChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+
InChIKeyMXPOCMVWFLDDLZ-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Apaziquone (CHEBI:177558) is a indoles (CHEBI:24828)
IUPAC Name 
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
Manual XrefsDatabases
DB12593DrugBank
4710342ChemSpider
D02965KEGG DRUG
Registry NumbersSources
CAS:114560-48-4ChemIDplus