| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:57 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N2O6 |
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| Molecular Mass | 304.0695 |
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| SMILES | O=C(O)CC(NC(=O)c1cccc2c(O)ccnc12)C(=O)O |
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| InChI Key | FVHUSFGESCNDRI-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesquinoline carboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundquinolineorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinequinoline-8-carboxamidecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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