| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:39 UTC |
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| Update Date | 2025-03-21 17:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005339 |
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| Frequency | 1225.9 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | O=C(O)C(=O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | ULQWGBCNOHBNDB-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 derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivatives |
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