CHEBI:186275 - Ro 31-6045

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ro 31-6045
ChEBI ID CHEBI:186275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H15N3O2
Net Charge 0
Average Mass 341.370
Monoisotopic Mass 341.11643
InChI InChI=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
InChIKey SWAWYMIKGOHZMR-UHFFFAOYSA-N
SMILES O=C1N(C(=O)C(=C1C=2C=3C(NC2)=CC=CC3)C=4C=5C(NC4)=CC=CC5)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2307 ChemSpider
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Registry Number Type Source
113963-68-1 CAS Registry Number ChemIDplus