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CHEBI:186275 - Ro 31-6045

ChEBI IDCHEBI:186275
ChEBI NameRo 31-6045
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H15N3O2
Net Charge0
Average Mass341.370
Monoisotopic Mass341.11643
SMILESCN1C(=O)C(c2cnc3ccccc23)=C(c2cnc3ccccc23)C1=O
InChIInChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChIKeySWAWYMIKGOHZMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ro 31-6045 (CHEBI:186275) is a indoles (CHEBI:24828)
IUPAC Name 
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
Manual XrefsDatabases
2307ChemSpider
Registry NumbersSources
CAS:113963-68-1ChemIDplus