| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:59 UTC |
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| Update Date | 2025-03-21 17:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010786 |
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| Frequency | 434.3 |
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| Structure | |
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| Chemical Formula | C11H14NO6+ |
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| Molecular Mass | 256.0816 |
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| SMILES | O=C(O)c1cc[n+](C2OC(CO)C(O)C2O)cc1 |
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| InChI Key | IQPLMEBRYDDPLH-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 | pyridinecarboxylic 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 compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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