EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166544 - Adrenochrome

ChEBI IDCHEBI:166544
ChEBI NameAdrenochrome
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9NO3
Net Charge0
Average Mass179.175
Monoisotopic Mass179.05824
SMILESCN1CC(O)C2=CC(=O)C(=O)C=C21
InChIInChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3
InChIKeyRPHLQSHHTJORHI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Adrenochrome (CHEBI:166544) is a indoles (CHEBI:24828)
IUPAC Name 
3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione
Manual XrefsDatabases
5687ChemSpider
HMDB0012884HMDB
Registry NumbersSources
CAS:54-06-8ChemIDplus