| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:53 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14ClNO3 |
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| Molecular Mass | 243.0662 |
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| SMILES | COc1ccc(CC(C)(N)C(=O)O)cc1Cl |
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| InChI Key | QNCSPCRRMUZHBD-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 ethersalpha amino acidsanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenemethoxylated amphetaminemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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