| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:38 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O6 |
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| Molecular Mass | 286.1165 |
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| SMILES | NC(=O)C1=CN(C2C(O)C(O)OC2C(O)CO)C=CC1 |
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| InChI Key | HERBKASKAPXLIM-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 | 1,2-aminoalcohols1,3-aminoalcoholsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofuranstrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativesmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldihydropyridineprimary alcoholtertiary aminealcoholvinylogous amide1,3-aminoalcoholazacycle1,2-aminoalcoholtetrahydrofurantertiary aliphatic aminecarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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