| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:27 UTC |
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| Update Date | 2025-03-21 18:06:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060869 |
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| Frequency | 51.3 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | CC(C)(C)COC(=O)c1ccccc1C=O |
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| InChI Key | IQPBUNRQIYJRAS-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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