| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:04 UTC |
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| Update Date | 2025-03-21 18:40:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129615 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C11H15NO5S |
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| Molecular Mass | 273.0671 |
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| SMILES | O=S(=O)(O)CCN=C(O)CCc1ccccc1O |
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| InChI Key | SGXOUTJRBBBXLA-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 derivativescarboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboximidic acidmonocyclic benzene moietyorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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