| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:41 UTC |
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| Update Date | 2025-03-21 18:36:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111996 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C9H13NO5S |
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| Molecular Mass | 247.0514 |
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| SMILES | COS(=O)(=O)Oc1ccc(C(O)CN)cc1 |
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| InChI Key | LLKCTXFMYOHDIW-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesaromatic alcoholshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfateorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativearylsulfatebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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