| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:45 UTC |
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| Update Date | 2025-03-21 18:38:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119423 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C8H11NO5S |
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| Molecular Mass | 233.0358 |
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| SMILES | NCC(O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | WARUWROHTCACAV-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 | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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