| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:34:23 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | HMDB0142154 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002375 |
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| Name | (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid |
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| Frequency | 2570.2 |
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| Structure | |
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| Chemical Formula | C11H15NO4 |
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| Molecular Mass | 225.1001 |
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| SMILES | COc1cc(CC(C)(N)C(=O)O)ccc1O |
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| InChI Key | BQHWFYPBSKGBMV-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 benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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