| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:56 UTC |
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| Update Date | 2025-03-25 00:55:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18O6S |
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| Molecular Mass | 254.0824 |
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| SMILES | CCCCC=CC(O)C(O)COS(=O)(=O)O |
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| InChI Key | BVLFBWMDJWVNBZ-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 | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfateshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoesterorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativeorganooxygen compound1,2-diol |
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