| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:43 UTC |
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| Update Date | 2025-03-21 18:40:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131188 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | Cc1cccc(C)c1NC(=O)CNC(=O)CO |
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| InChI Key | LMBVOLVNYWGVOE-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha amino acid amidesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholalpha-amino acid amiden-acyl-alpha-amino acidm-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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