| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:10 UTC |
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| Update Date | 2025-03-25 00:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO3S |
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| Molecular Mass | 229.0773 |
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| SMILES | CCN(CC)c1ccccc1S(=O)(=O)O |
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| InChI Key | XIBBLFMAVGCPRW-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 compoundsaniline and substituted anilinesarylsulfonic acids and derivativesbenzenesulfonyl compoundsdialkylarylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaniline or substituted anilinesbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativestertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddialkylarylaminetertiary amineaminebenzenesulfonyl group |
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