| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:14 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30N2O5S |
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| Molecular Mass | 434.1875 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)Cc1ccccc1)S(=O)(=O)O |
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| InChI Key | UHYBTKGLPJEXHP-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 | amphetamines and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | alcoholcarbonyl grouporganic sulfuric acid or derivativescarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamidesecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenylacetamideorganooxygen compoundamphetamine or derivatives |
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