| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153310 |
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| Frequency | 0.5 |
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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 | COc1ccc2c(OCCO)ccnc2c1 |
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| InChI Key | JKCOXELNHWVXGY-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-halopyridinesalcohols and polyolsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | alcoholphenol etheretherazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etherpyridineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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