| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:59 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112722 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C14H14O2S |
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| Molecular Mass | 246.0715 |
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| SMILES | Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 |
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| InChI Key | KPZSNJOZRGCNFA-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessulfonestoluenes |
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| Substituents | aromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeorganosulfur compoundtoluenesulfonebenzenesulfonyl group |
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