| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:43 UTC |
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| Update Date | 2025-03-21 18:05:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054394 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C12H17NO4 |
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| Molecular Mass | 239.1158 |
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| SMILES | COc1cc(CC(CO)NC(C)=O)ccc1O |
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| InChI Key | CZXSNSCOINGFDA-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholacetamidealcoholmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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