| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:57 UTC |
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| Update Date | 2025-03-21 17:57:30 UTC |
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| HMDB ID | HMDB0001955 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008358 |
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| Name | 3-Phenylbutyric acid |
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| Frequency | 587.2 |
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| Structure | |
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| Chemical Formula | C10H12O2 |
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| Molecular Mass | 164.0837 |
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| SMILES | CC(CC(=O)O)c1ccccc1 |
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| InChI Key | ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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