| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:44 UTC |
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| Update Date | 2025-03-25 00:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO5S |
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| Molecular Mass | 275.0827 |
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| SMILES | CCS(=O)(=O)Oc1ccc(C(O)CNC)cc1O |
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| InChI Key | LNSFBXUAJCGZEN-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 oxidesorganopnictogen compoundsorganosulfonic acid esterssecondary alcoholssulfonic acid esterssulfonyls |
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| Substituents | aromatic alcoholorganosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary amineorganosulfonic acid esteraromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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