| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:22 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199798 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | COC(=O)c1cccc(CC(C)=O)c1 |
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| InChI Key | FRHNAXWWCGBMIE-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 derivativeshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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