| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:25 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O5 |
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| Molecular Mass | 270.1216 |
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| SMILES | NC(=O)C1=CN(C2CC(O)C(CO)OC2O)C=CC1 |
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| InChI Key | UGPYHEZXJVDFLW-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 acids and derivativesaminosaccharidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidessecondary alcoholstrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativesmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldihydropyridineoxaneprimary alcoholtertiary aminealcoholvinylogous amideamino saccharideazacycletertiary aliphatic aminecarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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