| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185176 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O3 |
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| Molecular Mass | 299.127 |
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| SMILES | NC(=O)c1ccc(Nc2ccc(CC(N)C(=O)O)cc2)cc1 |
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| InChI Key | XFPGUOLOHVBHLM-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 acidsamino acidsamphetamines and derivativesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary carboxylic acid amidessecondary amines |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzoic acid or derivativessecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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