| 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 | DMID02238788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H32N2O17P2 |
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| Molecular Mass | 622.1176 |
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| SMILES | NC(=O)C1=CN(C2OC(CO)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | KPKWSZCMNRISIF-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineoxaneprimary alcoholalcoholvinylogous amideazacyclecarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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