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CHEBI:35579 - 3H-indole

ChEBI IDCHEBI:35579
ChEBI Name3H-indole
Stars
ASCII Name3H-indole
Last Modified12 April 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H7N
Net Charge0
Average Mass117.151
Monoisotopic Mass117.05785
SMILESC1=Nc2ccccc2C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2
InChIKeyRKJUIXBNRJVNHR-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3H-indole (CHEBI:35579) is a indole (CHEBI:35581)
3H-indole (CHEBI:35579) is tautomer of 1H-indole (CHEBI:16881)
Incoming Relation(s)
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) has functional parent 3H-indole (CHEBI:35579)
1H-indole (CHEBI:16881) is tautomer of 3H-indole (CHEBI:35579)
IUPAC Name 
3H-indole
Registry NumbersSources
Gmelin:2037578Gmelin
Beilstein:107688Beilstein
CAS:271-26-1ChemIDplus