| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201565 |
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| Frequency | 0.5 |
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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 | Cc1cc(C(C)C(=O)O)cc(C)c1CCC(=O)O |
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| InChI Key | RODQYORAUMJVSY-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 oxidesm-xylenes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidm-xylenep-cymenecarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxideorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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