| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:46 UTC |
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| Update Date | 2025-03-21 18:05:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054521 |
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| Frequency | 59.0 |
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| Structure | |
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| Chemical Formula | C11H15NO8S |
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| Molecular Mass | 321.0518 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)NOS(=O)(=O)O |
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| InChI Key | NNALLMCOZMZRAH-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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