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CHEBI:193746 - OR-1855

ChEBI IDCHEBI:193746
ChEBI NameOR-1855
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13N3O
Net Charge0
Average Mass203.245
Monoisotopic Mass203.10586
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N)cc1
InChIInChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyGDMRFHZLKNYRRO-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
OR-1855 (CHEBI:193746) is a substituted aniline (CHEBI:48975)
IUPAC Name 
(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Manual XrefsDatabases
8640895ChemSpider
HMDB0060860HMDB
Registry NumbersSources
CAS:101328-85-2ChemIDplus