| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21N3O5 |
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| Molecular Mass | 395.1481 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(N2CC3Nc4ccccc4C32)cc1)C(=O)O |
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| InChI Key | UXJAZNFXGITFRK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-benzodiazepinesalpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesaralkylaminesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesindolesindolinesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylazetidinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidindolebenzoylaralkylaminebenzamideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminedihydroindoleaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzodiazepineaniline or substituted anilinesindole or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupaminobenzamidesecondary aliphatic/aromatic amineazetidine1,4-benzodiazepinesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1-phenylazetidineamineorganooxygen compound |
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