| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:23 UTC |
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| Update Date | 2025-03-21 18:36:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111294 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C10H15NO5S |
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| Molecular Mass | 261.0671 |
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| SMILES | COc1cc(CC(C)N)ccc1OS(=O)(=O)O |
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| InChI Key | DFWVILDEBWZYLN-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 | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretheralkyl aryl etherphenylpropanephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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