| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:41 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28O4 |
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| Molecular Mass | 308.1988 |
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| SMILES | CC(CCC(=O)O)C1CCC2C3CCC(=O)C3CC(O)C12C |
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| InChI Key | INVOBYKPNOEAHA-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 homopolycyclic compounds |
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| Alternative Parents | carboxylic acidscyclic alcohols and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholcarbocyclic fatty acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcyclic alcoholcarboxylic acid derivativebranched fatty acidaliphatic homopolycyclic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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