| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:23 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049051 |
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| Frequency | 67.4 |
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| Structure | |
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| Chemical Formula | C14H15N3O5 |
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| Molecular Mass | 305.1012 |
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| SMILES | O=C1CC(C(=O)NC(Cc2ccccc2)C(=O)O)NC(=O)N1 |
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| InChI Key | WTIYNHRPNUEBJO-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdiazinanesdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl ureasn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspyrimidonessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpyrimidonealpha-amino acid or derivativespyrimidine1,3-diazinaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideureideorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl ureacarbonic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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