| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:42 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133416 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C8H11NO4S2 |
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| Molecular Mass | 249.013 |
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| SMILES | NCCc1ccc(O)c(OS(=O)(=O)S)c1 |
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| InChI Key | PDEDVKPXFLXMII-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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