| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:45 UTC |
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| Update Date | 2025-03-21 17:57:47 UTC |
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| HMDB ID | HMDB0257843 |
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| Metabolite Identification |
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| DeepMet ID | DMID00010229 |
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| Name | 2-[4-(2-Carboxy-2-methylpropyl)phenyl]propionic acid |
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| Frequency | 463.5 |
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| Structure | |
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| Chemical Formula | C14H18O4 |
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| Molecular Mass | 250.1205 |
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| SMILES | CC(C(=O)O)c1ccc(CC(C)(C)C(=O)O)cc1 |
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| InChI Key | BNRPCMRJWGGPRT-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 | aromatic monoterpenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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