| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:29 UTC |
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| Update Date | 2025-03-21 18:31:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084894 |
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| Frequency | 33.7 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S |
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| Molecular Mass | 262.0623 |
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| SMILES | CNCC(O)c1ccc(OS(N)(=O)=O)c(O)c1 |
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| InChI Key | QUYNZJJJKRASRU-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic amineorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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