| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:44 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180190 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO7 |
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| Molecular Mass | 311.1005 |
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| SMILES | COc1cc(CC(=O)O)ccc1OC(=O)CCC(N)C(=O)O |
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| InChI Key | BYKBCLWRAGZKKQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidtricarboxylic acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundglutamic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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