| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N2O4+ |
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| Molecular Mass | 237.087 |
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| SMILES | NC(=O)c1ccc[n+](CC2CC(C(=O)O)O2)c1 |
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| InChI Key | LWDDRUWNDBHQFQ-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 compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativedialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundoxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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