| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:07 UTC |
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| Update Date | 2025-03-21 17:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006417 |
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| Frequency | 804.1 |
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| Structure | |
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| Chemical Formula | C12H16NO7+ |
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| Molecular Mass | 286.0921 |
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| SMILES | O=C(O)c1ccc[n+](C2OC(CO)C(O)C(O)C2O)c1 |
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| InChI Key | CRXJVFIHZPTDKA-UHFFFAOYSA-O |
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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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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