Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:38 UTC |
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Update Date | 2025-03-25 00:51:25 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02186810 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H17NO6 |
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Molecular Mass | 283.1056 |
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SMILES | NCCc1ccc(O)c(OC(CCC(=O)O)C(=O)O)c1 |
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InChI Key | QZFGNBLIJHKFCD-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 | benzene and substituted derivatives |
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Subclass | phenoxyacetic acid derivatives |
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Direct Parent | phenoxyacetic acid derivatives |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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