| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:45 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C(O)C1Cc2cccc(S(=O)(=O)O)c2O1 |
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| InChI Key | XJGSHIHAYLLBEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | arylsulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidscoumaranshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonyls |
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| Substituents | carbonyl groupethercarboxylic acid1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundcoumaranorganooxygen compound |
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