| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:00 UTC |
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| Update Date | 2025-03-21 17:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017549 |
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| Frequency | 239.7 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CC(C)COC(=O)c1ccccc1C=O |
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| InChI Key | ZPKKLIIRYMJODM-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 | benzaldehydesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | benzoylaldehydebenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundbenzaldehydeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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