| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:40:31 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | HMDB0060564 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016488 |
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| Name | Carboxy-ibuprofen |
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| Frequency | 259.0 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(Cc1ccc(C(C)C(=O)O)cc1)C(=O)O |
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| InChI Key | DIVLBIVDYADZPL-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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