| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:30 UTC |
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| Update Date | 2025-03-25 01:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243564 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO9S |
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| Molecular Mass | 297.0155 |
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| SMILES | CC(=O)NC1C(O)C=C(C(=O)O)OC1OS(=O)(=O)O |
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| InChI Key | QRMOXBOUZAQSEZ-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidealcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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