| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:48 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131348 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C9H14N2O4S |
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| Molecular Mass | 246.0674 |
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| SMILES | CNCC(O)c1ccc(OS(N)(=O)=O)cc1 |
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| InChI Key | ZYMFCZDUBOLULN-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 | aromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic amineorganic sulfuric acid or derivativessecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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