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CHEBI:184393 - 2-(5,7-Dichloro-2,3-dihydroxy-3H-indol-3-yl)-1-(3-nitrophenyl)ethan-1-one

ChEBI IDCHEBI:184393
ChEBI Name2-(5,7-Dichloro-2,3-dihydroxy-3H-indol-3-yl)-1-(3-nitrophenyl)ethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10Cl2N2O5
Net Charge0
Average Mass381.171
Monoisotopic Mass379.99668
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22)
InChIKeyCGVKNDAEXKLQAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
2-(5,7-Dichloro-2,3-dihydroxy-3H-indol-3-yl)-1-(3-nitrophenyl)ethan-1-one (CHEBI:184393) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
Manual XrefsDatabases
HMDB0037985HMDB
325538ChemSpider