| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:37 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22NO5S+ |
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| Molecular Mass | 304.1213 |
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| SMILES | COc1ccc(CC(C)[N+](C)(C)C)cc1OS(=O)(=O)O |
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| InChI Key | KLWXEAWYGUKWEB-UHFFFAOYSA-O |
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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 | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminesanisoleshydrocarbon derivativesmethoxybenzenesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylsulfatessulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | phenol ethersulfuric acid monoesteretheralkyl aryl etherphenylpropanephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic cationorganic saltorganic sulfuric acid or derivativestetraalkylammonium saltmethoxylated amphetaminequaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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