| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:42 UTC |
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| Update Date | 2025-03-25 00:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O16S3 |
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| Molecular Mass | 435.9287 |
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| SMILES | O=S(=O)(O)OCC1OC(OOS(=O)(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | JRNYPCQCHHQEEC-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 | organic oxoanionic compounds |
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| Subclass | organic peroxomonosulfates |
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| Direct Parent | organic peroxomonosulfates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfateshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesmonosaccharideorganic peroxomonosulfateoxacyclesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundsecondary alcoholsulfate-esterhydrocarbon derivativeoxanesulfuric acid esterorganoheterocyclic compoundorganooxygen compound1,2-diol |
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