| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:20 UTC |
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| Update Date | 2025-03-21 18:06:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065315 |
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| Frequency | 46.9 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | Cc1cccc(C)c1NC(=O)NCC(=O)O |
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| InChI Key | GABSUWIMKXSDRZ-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-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidn-carbamoyl-alpha-amino acidm-xylenearomatic homomonocyclic compoundxylenen-phenylureaorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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