| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:11 UTC |
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| Update Date | 2025-03-21 18:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031792 |
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| Frequency | 115.4 |
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| Structure | |
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| Chemical Formula | C12H12N2O8 |
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| Molecular Mass | 312.0594 |
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| SMILES | O=C(O)C1=CC(=CC=NC(C(=O)O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | NFEZLABKVXHJOW-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsaldiminesalpha amino acidsamino acidsazacyclic compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydropyridinetetracarboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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