Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:45 UTC |
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Update Date | 2025-03-25 00:51:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02187062 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C8H9NO3 |
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Molecular Mass | 167.0582 |
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SMILES | CC(=O)c1nccc(O)c1CO |
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InChI Key | OIKKSGIAGFMJMS-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 | halopyridines |
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Direct Parent | polyhalopyridines |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 2-halopyridinesaromatic alcoholsaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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Substituents | aromatic alcoholalcoholaryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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