| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:44 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047516 |
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| Frequency | 70.1 |
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| Structure | |
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| Chemical Formula | C12H15N2O7+ |
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| Molecular Mass | 299.0874 |
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| SMILES | NC(=O)c1cc(C(=O)O)c[n+](C2OC(CO)C(O)C2O)c1 |
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| InChI Key | MAHZRPUZADUSCG-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | nicotinamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary carboxylic acid amidespyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinenicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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