| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 15:14:51 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | HMDB0254564 |
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| Metabolite Identification |
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| DeepMet ID | DMID02235286 |
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| Name | Methyl 2-amino-3-(4-chlorophenyl)propanoate |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12ClNO2 |
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| Molecular Mass | 213.0557 |
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| SMILES | COC(=O)C(N)Cc1ccc(Cl)cc1 |
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| InChI Key | FBHPVOLRIXZZMD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundschlorobenzenesfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganochlorideorganohalogen compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenealpha-amino acid esteraryl halidearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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