| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:15 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249977 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO5 |
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| Molecular Mass | 303.1107 |
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| SMILES | COc1ccc2nccc(C(O)C(O)C3CCC(=O)O3)c2c1 |
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| InChI Key | STIZFTSSGDDNKU-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 | 4-quinolinemethanols |
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| Direct Parent | 4-quinolinemethanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupetherpolyhalopyridinealkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridine1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolgamma butyrolactoneoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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