| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:36 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O6 |
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| Molecular Mass | 272.1008 |
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| SMILES | O=C(NCC(O)C(O)C(O)CO)c1ccc[n+]([O-])c1 |
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| InChI Key | LWONEHQKSLAIIF-UHFFFAOYSA-N |
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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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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