| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:01 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069381 |
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| Frequency | 56.7 |
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| Structure | |
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| Chemical Formula | C8H7NO2 |
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| Molecular Mass | 149.0477 |
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| SMILES | O=CNC(=O)c1ccccc1 |
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| InChI Key | QHUSAWABXWPYLB-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupbenzoylbenzoic acid or derivativescarboxylic acid derivativecarboxylic acid imidearomatic homomonocyclic compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundorganooxygen compound |
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