| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:59 UTC |
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| Update Date | 2025-03-25 00:51:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | NC(=O)C1=CN(C2C=C(C(=O)O)CC2O)C=CC1 |
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| InChI Key | APNFMRLTSGCJQO-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 | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdihydropyridinesenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholstrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary aminealcoholvinylogous amideazacycletertiary aliphatic aminecarboxamide groupn-substituted nicotinamidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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