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CHEBI:168077 - Harmalan

ChEBI IDCHEBI:168077
ChEBI NameHarmalan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2
Net Charge0
Average Mass184.242
Monoisotopic Mass184.10005
SMILESCC1=NCCc2c1nc1ccccc21
InChIInChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
InChIKeyCWOYLIJQLSNRRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Harmalan (CHEBI:168077) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Manual XrefsDatabases
10309487ChemSpider
HMDB0029834HMDB
Registry NumbersSources
CAS:525-41-7ChemIDplus