| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:00 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045772 |
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| Frequency | 73.4 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | Cc1ccc(C(C)(C)C(=O)O)cc1 |
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| InChI Key | SHDBWXXRCCHGQD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestoluenes |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
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