| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:51 UTC |
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| Update Date | 2025-03-21 18:04:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052443 |
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| Frequency | 62.1 |
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| Structure | |
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| Chemical Formula | C11H15N2O4+ |
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| Molecular Mass | 239.1026 |
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| SMILES | NC(=O)c1ccc[n+](C2C(O)C(O)C2CO)c1 |
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| InChI Key | VOJZQXROXGDWLE-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativescyclic alcohols and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxidecyclobutanolorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouporganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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