| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:51 UTC |
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| Update Date | 2025-03-21 18:39:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124293 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C11H13NO7S |
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| Molecular Mass | 303.0413 |
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| SMILES | NS(=O)(=O)Oc1cc(CC2CCC(=O)O2)cc(O)c1O |
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| InChI Key | KIFUIDOFOIVTOA-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 | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouporganic sulfuric acid or derivativesaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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