| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:33 UTC |
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| Update Date | 2025-03-21 18:04:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051758 |
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| Frequency | 63.0 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | CC(O)C(O)c1ccc2ccccc2n1 |
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| InChI Key | PALYXRKQQSANBQ-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound1,2-diol |
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