| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:22 UTC |
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| Update Date | 2025-03-21 18:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032209 |
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| Frequency | 113.6 |
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| Structure | |
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| Chemical Formula | C11H13N2O3+ |
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| Molecular Mass | 221.0921 |
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| SMILES | NC(=O)c1ccc[n+](C2C=CC(O)C2O)c1 |
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| InChI Key | CRMIRQZBNNZQAW-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 | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesalcoholvinylogous amidearomatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundhydroxypyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound1,2-diol |
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