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CHEBI:169367 - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate

ChEBI IDCHEBI:169367
ChEBI Name1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O7
Net Charge0
Average Mass366.370
Monoisotopic Mass366.14270
SMILESO=C(O)C1Cc2c(nc3ccccc23)C(C(O)C(O)C(O)C(O)CO)N1
InChIInChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)
InChIKeyLCHFAYIGHOVWSA-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)
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate (CHEBI:169367) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-(1,2,3,4,5-pentahydroxypentyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
HMDB0029992HMDB
19993304ChemSpider