| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:41 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO8S2 |
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| Molecular Mass | 310.977 |
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| SMILES | COc1ccc2c(c1)OC(OS(=O)(=O)O)NS2(=O)=O |
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| InChI Key | WKWGYHCXLMZOFW-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 ethersalkyl sulfatesazacyclic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesorthocarboxylic acid derivativesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoesteretheralkyl aryl etherorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorthocarboxylic acid derivativeorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleoxacycleorganic oxygen compoundorganic sulfonic acid or derivativesanisolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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