| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:27 UTC |
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| Update Date | 2025-03-21 18:01:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034817 |
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| Frequency | 103.0 |
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| Structure | |
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| Chemical Formula | C12H19N2O9P |
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| Molecular Mass | 366.0828 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)O)C(O)C(O)C2O)C=CC1 |
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| InChI Key | WSDAOXRNJYHXMR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupnicotinamidecarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineoxaneorganoheterocyclic compoundalcoholvinylogous amideazacyclecarboxamide groupn-substituted nicotinamideoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateenamine |
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