| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179765 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6S |
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| Molecular Mass | 301.062 |
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| SMILES | CS(=O)(=O)Nc1c(O)cc(CC2CCC(=O)O2)cc1O |
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| InChI Key | NOMBYUVOWWLURZ-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 | sulfanilides |
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| Direct Parent | sulfanilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaminosulfonyl compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsresorcinolstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeresorcinolorganosulfonic acid amidelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaminosulfonyl compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonesulfanilideoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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