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CHEBI:209010 - 6-hydroxymetatacarboline E

ChEBI IDCHEBI:209010
ChEBI Name6-hydroxymetatacarboline E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24N4O7
Net Charge0
Average Mass468.466
Monoisotopic Mass468.16450
SMILESC[C@H](NC(=O)c1cc2c(nc3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C23H24N4O7/c1-11(22(31)32)24-21(30)17-10-14-13-9-12(28)4-5-15(13)26-20(14)16(25-17)6-7-19(29)27-8-2-3-18(27)23(33)34/h4-5,9-11,18,26,28H,2-3,6-8H2,1H3,(H,24,30)(H,31,32)(H,33,34)/t11-,18-/m0/s1
InChIKeyXRVASJRNLDYJFF-VOJFVSQTSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
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)
6-hydroxymetatacarboline E (CHEBI:209010) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxyethyl]carbamoyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78438463ChemSpider