Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:49:26 UTC |
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Update Date | 2025-03-21 18:02:17 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00037239 |
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Frequency | 94.6 |
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Structure | |
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Chemical Formula | C11H15NO3 |
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Molecular Mass | 209.1052 |
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SMILES | COc1ccc(CC(C)(N)C(=O)O)cc1 |
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InChI Key | GSEIHXWCWAMTTH-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 acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylpropanoic acids |
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Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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