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CHEBI:207273 - 6-hydroxymetatacarboline H

ChEBI IDCHEBI:207273
ChEBI Name6-hydroxymetatacarboline H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28N4O7
Net Charge0
Average Mass544.564
Monoisotopic Mass544.19580
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc2c(nc3ccc(O)cc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C29H28N4O7/c34-17-8-9-20-18(14-17)19-15-22(27(36)32-23(28(37)38)13-16-5-2-1-3-6-16)30-21(26(19)31-20)10-11-25(35)33-12-4-7-24(33)29(39)40/h1-3,5-6,8-9,14-15,23-24,31,34H,4,7,10-13H2,(H,32,36)(H,37,38)(H,39,40)/t23-,24-/m0/s1
InChIKeyVZSNMDLSRQBMCL-ZEQRLZLVSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
ChEBI Ontology
Outgoing Relation(s)
6-hydroxymetatacarboline H (CHEBI:207273) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
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