| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:40 UTC |
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| Update Date | 2025-03-21 18:00:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028205 |
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| Frequency | 133.8 |
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| Structure | |
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| Chemical Formula | C11H16O6S |
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| Molecular Mass | 276.0668 |
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| SMILES | O=S(=O)(O)OC(O)CCC(O)Cc1ccccc1 |
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| InChI Key | LQWYYHNITUWWKF-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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