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CHEBI:225773 - 6-hydroxymetatacarboline I

ChEBI IDCHEBI:225773
ChEBI Name6-hydroxymetatacarboline I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N4O7
Net Charge0
Average Mass510.547
Monoisotopic Mass510.21145
SMILESCC(C)C[C@H](NC(=O)c1cc2c(nc3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C26H30N4O7/c1-13(2)10-20(25(34)35)29-24(33)19-12-16-15-11-14(31)5-6-17(15)28-23(16)18(27-19)7-8-22(32)30-9-3-4-21(30)26(36)37/h5-6,11-13,20-21,28,31H,3-4,7-10H2,1-2H3,(H,29,33)(H,34,35)(H,36,37)/t20-,21-/m0/s1
InChIKeyGJJLJDWKCBHBMW-SFTDATJTSA-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 I (CHEBI:225773) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78438322ChemSpider