| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:37 UTC |
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| Update Date | 2025-03-21 18:04:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051897 |
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| Frequency | 62.8 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | CCC(=O)Cc1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | PXKFBWWEPMLPSD-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 monoterpenoidsbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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