| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:17 UTC |
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| Update Date | 2025-03-25 00:55:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO7S |
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| Molecular Mass | 281.0569 |
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| SMILES | CC(=O)NC1C=C(C)OC(COS(=O)(=O)O)C1O |
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| InChI Key | NVNBDLHVFZSANQ-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 | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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