| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:37 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218956 |
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| Frequency | 0.5 |
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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 | COc1ccc(CC(=O)CO)cn1 |
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| InChI Key | AFCIXAVMSZTWDH-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-halopyridinesalcohols and polyolsalkyl aryl ethersalpha-hydroxy ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholcarbonyl groupetheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etheralpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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