| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:45 UTC |
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| Update Date | 2025-03-25 01:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H34O7S |
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| Molecular Mass | 430.2025 |
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| SMILES | CCCCCCCCCCCCCC(=O)OCOS(=O)(=O)Oc1cccc(O)c1 |
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| InChI Key | WWGOTDKSZBLEMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid diesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diestercarboxylic acid esteralkyl sulfatephenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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