| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:51 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045438 |
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| Frequency | 74.1 |
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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 | COC(=O)CCC(=O)Cc1ccccc1 |
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| InChI Key | VWIKWVDDAPHQPO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesfatty acid methyl estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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