| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4 |
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| Molecular Mass | 211.0845 |
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| SMILES | NCCOc1cc(CC(=O)O)ccc1O |
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| InChI Key | KWGPXIHPQRTEPU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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