| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:34 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)C(O)CC(O)c1ccc2ccccc2n1 |
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| InChI Key | BRKQNLXMRRFMNC-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-halopyridinesalpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidpolyhalopyridinealpha-hydroxy acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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