| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:26 UTC |
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| Update Date | 2025-03-25 01:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28O6 |
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| Molecular Mass | 340.1886 |
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| SMILES | CC1CC2OC(CCC(=O)O)CC2C1CCC1CC(O)CC(=O)O1 |
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| InChI Key | JWBWFVVFFIPWOL-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 | prenol lipids |
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| Subclass | terpene lactones |
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| Direct Parent | terpene lactones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | bicyclic monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesiridoids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstetrahydrofurans |
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| Substituents | monoterpenoidcarbonyl groupethercarboxylic aciddelta valerolactonecarboxylic acid derivativedialkyl etherlactonealiphatic heteropolycyclic compoundterpene lactoneorganic oxideoxanedelta_valerolactoneorganoheterocyclic compoundalcoholtetrahydrofuranoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebicyclic monoterpenoid11-noriridane monoterpenoidorganooxygen compound |
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