| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:54 UTC |
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| Update Date | 2025-03-21 18:07:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066674 |
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| Frequency | 45.7 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | CC(CO)Cc1cccc(C(=O)O)c1 |
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| InChI Key | WEYKZFXNGFEQQN-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 | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidprimary alcoholorganooxygen compound |
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