| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:42 UTC |
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| Update Date | 2025-03-21 17:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021351 |
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| Frequency | 187.6 |
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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(C)(O)Cc1ccc(C(=O)O)cc1 |
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| InChI Key | DBFSQQMSOFOCCX-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 oxidestertiary alcohols |
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| Substituents | alcoholcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compound |
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