| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:11 UTC |
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| Update Date | 2025-03-21 18:41:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136755 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | OCC(O)C(O)c1cnc2ccccc2c1 |
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| InChI Key | LGPBOANPFJNLFR-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 | 2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundprimary alcoholorganooxygen compound |
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