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CHEBI:216645 - Oxopropaline A

ChEBI IDCHEBI:216645
ChEBI NameOxopropaline A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O7
Net Charge0
Average Mass416.430
Monoisotopic Mass416.15835
SMILESCc1cnc(C(=O)C(CO)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2nc3ccccc3c12
InChIInChI=1S/C21H24N2O7/c1-9-7-22-16(15-14(9)11-5-3-4-6-12(11)23-15)18(26)13(8-24)30-21-20(28)19(27)17(25)10(2)29-21/h3-7,10,13,17,19-21,23-25,27-28H,8H2,1-2H3/t10-,13?,17-,19+,20+,21-/m0/s1
InChIKeyKASBSLTUMGOYEE-WAEFKPECSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8270489)
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)
Oxopropaline A (CHEBI:216645) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
3-hydroxy-1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-1-one
Manual XrefsDatabases
9917333ChemSpider