| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:21 UTC |
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| Update Date | 2025-03-21 18:41:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137159 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C16H21N3O4 |
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| Molecular Mass | 319.1532 |
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| SMILES | NC(CCCNC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | NDTQUDIORGIRAX-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary amineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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