| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096456 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C14H11NO4S |
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| Molecular Mass | 289.0409 |
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| SMILES | O=S(=O)(Oc1cccc2cc[nH]c12)c1ccc(O)cc1 |
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| InChI Key | PUZOAMLHRFGKFK-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate esterindole1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundindole or derivativesorganosulfonic acid estersulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyrrolephenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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