| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:29 UTC |
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| Update Date | 2025-03-21 18:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030083 |
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| Frequency | 123.7 |
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| Structure | |
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| Chemical Formula | C11H15NO2 |
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| Molecular Mass | 193.1103 |
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| SMILES | Cc1ccc(C)c(CC(N)C(=O)O)c1 |
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| InChI Key | LLIYNMSSZATPME-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 acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidsp-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidaromatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xylenephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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