| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:49 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO6S |
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| Molecular Mass | 303.0777 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)NCS(=O)O |
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| InChI Key | PNXJRMCWWSKGED-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 derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amidessulfinic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfinic acid derivativefatty amide1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativesulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundalcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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