| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:41 UTC |
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| Update Date | 2025-03-25 01:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2S |
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| Molecular Mass | 209.051 |
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| SMILES | CC(c1ccc(C#N)cc1)S(C)(=O)=O |
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| InChI Key | HQNVUIWWXQQPGH-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 | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfones |
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| Substituents | nitrileorganosulfur compoundbenzonitrilearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilesulfone |
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