| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O7 |
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| Molecular Mass | 312.0958 |
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| SMILES | O=C(O)CCc1c[nH]c(C(=O)NCC(=O)O)c1CCC(=O)O |
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| InChI Key | NTSRKKDVOZMTGW-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic 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 compoundazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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