| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:49 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191699 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO6S |
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| Molecular Mass | 303.0777 |
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| SMILES | CC(=O)NC(Cc1ccccc1)C(O)COS(=O)(=O)O |
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| InChI Key | SDGJPLJCCOQADV-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esteracetamideorganooxygen compoundamphetamine or derivatives |
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