| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:41 UTC |
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| Update Date | 2025-03-25 00:47:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | CC1=CC(=O)CCC1=CCCCC(=O)O |
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| InChI Key | GLKSHUFMVJPXJC-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 acidscyclohexenonesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | cyclohexenonecarbocyclic fatty acidcarbonyl groupcarboxylic acidcyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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