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CHEBI:173933 - (2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol

ChEBI IDCHEBI:173933
ChEBI Name(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16N2O3
Net Charge0
Average Mass272.304
Monoisotopic Mass272.11609
SMILESOCC(O)CC(O)c1nccc2c1nc1ccccc12
InChIInChI=1S/C15H16N2O3/c18-8-9(19)7-13(20)15-14-11(5-6-16-15)10-3-1-2-4-12(10)17-14/h1-6,9,13,17-20H,7-8H2
InChIKeyYPOORAFYDFLOBZ-UHFFFAOYSA-N
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)
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol (CHEBI:173933) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
4-(9H-pyrido[3,4-b]indol-1-yl)butane-1,2,4-triol
Manual XrefsDatabases
35013868ChemSpider
HMDB0035191HMDB