| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:48 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO4S |
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| Molecular Mass | 273.1035 |
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| SMILES | COc1ccc(C(CCN(C)C)S(=O)(=O)O)cc1 |
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| InChI Key | QEFHCSVBSJFVLJ-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 | 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 oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acidalkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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