| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:45 UTC |
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| Update Date | 2025-03-25 00:47:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO7S |
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| Molecular Mass | 265.0256 |
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| SMILES | CC1=C(CCC(=O)O)NC(=O)C1OS(=O)(=O)O |
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| InChI Key | DHLHEGVTNBKGLT-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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