| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:03 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16NO4S+ |
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| Molecular Mass | 246.0795 |
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| SMILES | COc1ccc(C[N+](C)(C)S(=O)(=O)O)cc1 |
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| InChI Key | OCOWQPNEEFGJIC-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethershydrocarbon derivativesmethoxybenzenesorganic cationsorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyetherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationphenoxy compoundorganooxygen compound |
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