| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:32 UTC |
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| Update Date | 2025-03-21 17:58:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012098 |
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| Frequency | 377.7 |
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| Structure | |
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| Chemical Formula | C12H18N2O9P+ |
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| Molecular Mass | 365.0744 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C(O)C2O)c1 |
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| InChI Key | YJZRHLDUMWRREM-UHFFFAOYSA-O |
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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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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