| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O5 |
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| Molecular Mass | 307.1168 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc(N2CCCN2)cc1)C(=O)O |
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| InChI Key | GJUTUPOKRNDKFB-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylhydrazinesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrazolidinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzamidealkylhydrazineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativeshydrazine derivativepyrazolidineazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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