| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163421 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO5 |
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| Molecular Mass | 261.0637 |
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| SMILES | O=C(O)C(=O)CC(O)c1ccnc2ccc(O)cc12 |
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| InChI Key | FZHZSDSHOSNROF-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-hydroxy-2-unsubstituted benzenoids2-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsazacyclic compoundsbenzenoidsbeta-hydroxy ketonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridine4-quinolinemethanolhydroxyquinolinemonocarboxylic acid or derivativespyridineorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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