| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:27 UTC |
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| Update Date | 2025-03-21 18:06:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060901 |
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| Frequency | 51.3 |
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| Structure | |
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| Chemical Formula | C14H20O2 |
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| Molecular Mass | 220.1463 |
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| SMILES | CCc1cc(C(C)C)cc(C(C)C(=O)O)c1 |
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| InChI Key | MJGQFYCMPSEKPQ-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 | carbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidcumenehydrocarbon derivativebenzenoidorganooxygen compound |
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