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CHEBI:197800 - 6-hydroxymetatacarboline B

ChEBI IDCHEBI:197800
ChEBI Name6-hydroxymetatacarboline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N5O8
Net Charge0
Average Mass525.518
Monoisotopic Mass525.18596
SMILESNC(=O)CC[C@H](NC(=O)c1cc2c(nc3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C25H27N5O8/c26-20(32)7-5-17(24(35)36)29-23(34)18-11-14-13-10-12(31)3-4-15(13)28-22(14)16(27-18)6-8-21(33)30-9-1-2-19(30)25(37)38/h3-4,10-11,17,19,28,31H,1-2,5-9H2,(H2,26,32)(H,29,34)(H,35,36)(H,37,38)/t17-,19-/m0/s1
InChIKeyNXSPJNGIASLZOG-HKUYNNGSSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
ChEBI Ontology
Outgoing Relation(s)
6-hydroxymetatacarboline B (CHEBI:197800) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
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