| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:47 UTC |
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| Update Date | 2025-03-21 17:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019303 |
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| Frequency | 222.3 |
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| Structure | |
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| Chemical Formula | C9H10N2O4 |
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| Molecular Mass | 210.0641 |
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| SMILES | COc1ccc(C(=O)NCC(=O)O)cn1 |
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| InChI Key | BYDCWPVQCWFOGI-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-halopyridinesalkyl aryl ethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidealkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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