| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225678 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O7S |
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| Molecular Mass | 332.093 |
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| SMILES | CC(C)(O)c1ccc(CC(O)CCC(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | QMBSPBSFQUXPQK-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesterstertiary alcohols |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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