| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO9S2 |
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| Molecular Mass | 328.9875 |
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| SMILES | NCCc1cc(O)c(O)c(OS(=O)(=O)OS(=O)(=O)O)c1 |
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| InChI Key | SQKFZTYXABTOLA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrosulfates |
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| Direct Parent | organic pyrosulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyorganic sulfuric acid or derivativesorganic pyrosulfate1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativearylsulfatebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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