| 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 | DMID02238787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5 |
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| Molecular Mass | 268.1059 |
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| SMILES | NC(=O)C1=CN(C2CC(C(=O)O)C(O)C2O)C=CC1 |
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| InChI Key | PWRHQRNQAPOEQX-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-aminoalcohols1,2-diolsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclopentanolsdihydropyridinesenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary amine1,2-diolalcoholvinylogous amideazacycle1,2-aminoalcoholtertiary aliphatic aminehydroxy acidcyclic alcoholcarboxamide groupcyclopentanoln-substituted nicotinamidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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