| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:00 UTC |
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| Update Date | 2025-03-21 18:35:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107911 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C11H14O9S |
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| Molecular Mass | 322.0359 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OOS(=O)(=O)O |
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| InChI Key | BEKBBFSKPVLUHH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic peroxomonosulfates |
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| Direct Parent | organic peroxomonosulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesperoxycarboxylic acids and derivativessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeorganic peroxomonosulfatearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesperoxycarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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