| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:25 UTC |
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| Update Date | 2025-03-25 00:58:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC1=CC(=O)CC(C)(O)C1CC=CC(=O)O |
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| InChI Key | GIELBEGVTLKDJR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclohexenoneshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativestertiary alcoholsunsaturated fatty acids |
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| Substituents | alcoholcyclohexenonecarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidcyclic ketonecarboxylic acid derivativeketoneunsaturated fatty acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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