| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:04 UTC |
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| Update Date | 2025-03-21 18:40:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131968 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C9H11NO6S |
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| Molecular Mass | 261.0307 |
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| SMILES | NS(=O)(=O)OC(=O)CC(O)c1cccc(O)c1 |
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| InChI Key | BPIWCERCAGVHJB-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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