| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:38 UTC |
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| Update Date | 2025-03-21 18:01:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030466 |
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| Frequency | 122.0 |
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| Structure | |
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| Chemical Formula | C8H11NO3S |
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| Molecular Mass | 201.046 |
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| SMILES | NCCc1ccc(S(=O)(=O)O)cc1 |
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| InChI Key | RYBFWJVHZIKGQJ-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 | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbenzenesulfonyl group |
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