| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:36 UTC |
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| Update Date | 2025-03-21 18:37:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116651 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O6 |
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| Molecular Mass | 270.0852 |
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| SMILES | NC(=O)C1=CN(C2OC(C(=O)O)C(O)C2O)C=CC1 |
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| InChI Key | MRNLCYBKYXITPE-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-diolsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdihydropyridinesenamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridine1,2-diolalcoholvinylogous amideazacycletetrahydrofuranhydroxy acidcarboxamide groupn-substituted nicotinamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundenamine |
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