| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:05 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | NC(CC(=O)c1ccc2c(c1)OCC2)C(=O)O |
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| InChI Key | AIKBBYAJDOWWAJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsaryl alkyl ketonesbenzenoidscarboxylic acidscoumaransgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidaryl alkyl ketonealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcoumarangamma-keto acidbutyrophenoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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