| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:18 UTC |
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| Update Date | 2025-03-21 18:03:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046468 |
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| Frequency | 72.1 |
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| Structure | |
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| Chemical Formula | C8H15NO11S2 |
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| Molecular Mass | 365.0087 |
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| SMILES | CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OS(=O)(=O)O |
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| InChI Key | IIRQEZBBUBMVCF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxanes |
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| Subclass | oxanes |
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| Direct Parent | oxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundoxanesulfuric acid esteracetamideorganooxygen compound |
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