| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:49 UTC |
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| Update Date | 2025-03-21 18:33:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095157 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | NC(CC(=O)c1ccc2ccccc2c1)C(=O)O |
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| InChI Key | VAHPIOKCCFNGNF-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 homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic homopolycyclic compoundalpha-amino acid or derivativescarboxylic acid derivativegamma-keto acidketonebutyrophenoneorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundketo acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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