| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:02 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O7 |
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| Molecular Mass | 298.0801 |
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| SMILES | O=C(O)CCc1c[nH]c(C(=O)NC(CC(=O)O)C(=O)O)c1 |
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| InChI Key | CXQCNEUCHLAOFP-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-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivatives2-heteroaryl carboxamideorganic oxidepyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrole-2-carboxamideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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