| 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 | DMID02185285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O7P |
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| Molecular Mass | 346.093 |
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| SMILES | NC(=O)C1=CN(C2C=CC(COP(=O)(O)O)C(O)C2O)C=CC1 |
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| InChI Key | BOTPOXMKGZQVBC-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-diolsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholstrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary amine1,2-diolalcoholvinylogous amideazacycletertiary aliphatic aminecarboxamide groupn-substituted nicotinamideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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