| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103845 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | Cc1nc(C)c(CO)c(C=O)c1O |
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| InChI Key | OTRAYGGVOZREAM-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 | pyridine carboxaldehydes |
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| Direct Parent | pyridoxals and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | aromatic alcoholpyridine carboxylic acid or derivativesalcoholpyridoxalaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinealdehydevinylogous acidorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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