| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:16 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO4 |
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| Molecular Mass | 273.1001 |
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| SMILES | COc1ccc2nccc(CC3OC(=O)CC3O)c2c1 |
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| InChI Key | VJDSCPFMGQRGKH-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupetherpolyhalopyridinemonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinegamma butyrolactoneoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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