| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O3S |
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| Molecular Mass | 214.0664 |
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| SMILES | COc1ccccc1S(=O)(=O)C(C)C |
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| InChI Key | NSAMESICAILRDD-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 | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfones |
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| Substituents | phenol etheretheralkyl aryl etherorganosulfur compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compoundsulfonebenzenesulfonyl group |
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