| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:19 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO4S |
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| Molecular Mass | 257.0722 |
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| SMILES | O=S(O)CCN=C(O)CCc1cccc(O)c1 |
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| InChI Key | ZNLXVIJGWFEAED-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 benzenoidsalkanesulfinic acids and derivativesbenzene and substituted derivativescarboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundssulfinic acids |
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| Substituents | carboximidic acidmonocyclic benzene moietysulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundsulfinic acidpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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