| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14N2O5 |
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| Molecular Mass | 314.0903 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc(-c2ccccn2)cc1)C(=O)O |
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| InChI Key | PVZOWXJDCHBUJC-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 | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundhydroxypyridinebenzoic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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