| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:53 UTC |
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| Update Date | 2025-03-21 17:58:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012902 |
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| Frequency | 350.2 |
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| Structure | |
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| Chemical Formula | C17H17NO4 |
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| Molecular Mass | 299.1158 |
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| SMILES | O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1 |
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| InChI Key | RRONHWAVOYADJL-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 acidsamphetamines and derivativesbenzyloxycarbonylscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid3-phenylpropanoic-acidcarbamic acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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