| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:17 UTC |
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| Update Date | 2025-03-25 00:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222843 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4S |
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| Molecular Mass | 231.0565 |
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| SMILES | O=S(=O)(O)CCNCc1cccc(O)c1 |
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| InChI Key | QKFDBIPXENWQPB-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | secondary aliphatic amineorganosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary amineorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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