| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | COc1ccc(C2C(C(=O)O)CS(=O)(=O)N2C)cc1 |
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| InChI Key | XIDDEWXPWYGAKV-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsgamma sultamshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundgamma-sultamalkyl aryl ethercarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacyclemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganic sulfonic acid amideorganooxygen compound |
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