| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:57 UTC |
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| Update Date | 2025-03-21 18:39:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126921 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C11H14NO5+ |
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| Molecular Mass | 240.0866 |
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| SMILES | O=Cc1cccc[n+]1C1OC(CO)C(O)C1O |
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| InChI Key | WFJUSXVMYDMDJE-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyridine carboxaldehydessecondary alcoholstetrahydrofurans |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinealdehydeoxacycle2-pyridine carboxaldehydeorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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