| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:54 UTC |
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| Update Date | 2025-03-21 18:29:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076299 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C7H12O5S |
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| Molecular Mass | 208.0405 |
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| SMILES | CSCC1OC(=O)C(O)C(O)C1O |
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| InChI Key | SKNPRLQLUGELAF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdelta valerolactonesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groupdelta valerolactoneorganosulfur compoundcarboxylic acid derivativelactoneorganic oxidegluconolactonealiphatic heteromonocyclic compoundoxanedelta_valerolactoneorganoheterocyclic compoundalcoholsulfenyl compounddialkylthioetheroxacyclemonocarboxylic acid or derivativesthioethercarboxylic acid estersecondary alcoholhydrocarbon derivative |
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