| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:59 UTC |
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| Update Date | 2025-03-21 18:30:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081378 |
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| Frequency | 35.6 |
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| Structure | |
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| Chemical Formula | C18H19NO4 |
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| Molecular Mass | 313.1314 |
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| SMILES | NC(Cc1ccccc1)C(=O)OC(Cc1ccccc1)C(=O)O |
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| InChI Key | KTEMHPUIKOERJU-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalpha-amino acid esteraromatic homomonocyclic compoundfatty acid esterphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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