| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:22 UTC |
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| Update Date | 2025-03-25 01:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6S |
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| Molecular Mass | 287.0464 |
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| SMILES | COc1ccc2c(c1)OC(CCC(=O)O)S(=O)(=O)N2 |
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| InChI Key | XRDLJPAWACUCIL-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compounds |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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