| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:45 UTC |
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| Update Date | 2025-03-21 18:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059195 |
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| Frequency | 53.2 |
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| Structure | |
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| Chemical Formula | C13H15NO3 |
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| Molecular Mass | 233.1052 |
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| SMILES | COc1ccc2nc(C(O)C(C)O)ccc2c1 |
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| InChI Key | GPAGOHGSUYWHFL-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-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridine1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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