| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:35 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO8 |
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| Molecular Mass | 301.0798 |
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| SMILES | O=C(OCC1OC(O)C(O)C(O)C1O)c1ccc(O)nc1 |
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| InChI Key | WXALLCKJOROLIY-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acid estershemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinessecondary alcohols |
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| Substituents | aromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetal2-halopyridineoxanealcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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