| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:42 UTC |
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| Update Date | 2025-03-21 18:06:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066189 |
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| Frequency | 46.1 |
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| Structure | |
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| Chemical Formula | C14H16N2O3 |
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| Molecular Mass | 260.1161 |
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| SMILES | O=C(NC(Cc1ccccc1)C(=O)O)C1CCC=N1 |
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| InChI Key | DXBFNMKKOBXXON-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundspyrroline carboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidpyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativespyrrolineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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