| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO7S |
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| Molecular Mass | 307.0726 |
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| SMILES | CNCC(O)C(O)Cc1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | PSQYSLOVTQRUHT-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundarylsulfate1,2-diolalcoholsecondary aliphatic amineorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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