| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:46 UTC |
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| Update Date | 2025-03-25 00:54:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | NCC(Cc1ccc(OCC(=O)O)cc1)C(=O)O |
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| InChI Key | MKWDGHCCSGXWLI-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 | alkyl aryl ethersbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativebeta amino acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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