| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:09 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098436 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C12H16NO6+ |
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| Molecular Mass | 270.0972 |
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| SMILES | O=C(O)c1ccc[n+](CC2OC(CO)C(O)C2O)c1 |
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| InChI Key | NSNCINQCNXWVFT-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 acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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