| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO3+ |
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| Molecular Mass | 210.1125 |
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| SMILES | COc1cc(CC(C)[N+](C)=O)ccc1O |
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| InChI Key | SIBVCKSQGBKEGY-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaminoxidesanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanes |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniummethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundaminoxideanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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