| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:52 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO4 |
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| Molecular Mass | 261.1001 |
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| SMILES | O=C(O)CC(O)CC(O)c1ccc2ccccc2n1 |
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| InChI Key | ZLFXRDSVYQBYBR-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-halopyridinesamino fatty acidsaromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidpolyhalopyridinefatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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