| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:38 UTC |
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| Update Date | 2025-03-21 18:34:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102101 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C7H9NO5S |
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| Molecular Mass | 219.0201 |
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| SMILES | Nc1ccc(C(O)OS(=O)(=O)O)cc1 |
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| InChI Key | GGJCTUJGOXJMKB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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