| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:31 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | CC(=C=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | SHTIEFAGXQKWMZ-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 | hydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alkylarylaminessulfuric acid monoestersynolates |
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| Substituents | monocyclic benzene moietysulfuric acid monoestersecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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