| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:26 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135028 |
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| Frequency | 18.6 |
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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 | Cc1ccccc1C(=O)OC(C)C |
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| InChI Key | GKOTWEXRHKVLLK-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundstoluenes |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativetolueneorganooxygen compound |
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