| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:34 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26O5 |
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| Molecular Mass | 322.178 |
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| SMILES | CCC1=CC2C(CC(C)C2CCC2CC(O)CC(=O)O2)OC1=O |
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| InChI Key | HIAGFHSXGQFQPS-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 compoundsdelta valerolactonesdicarboxylic acids and derivativesdihydropyranonesenoate estershydrocarbon derivativesiridoids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | monoterpenoidcarbonyl groupdihydropyranonedelta valerolactonecarboxylic acid derivativelactonealiphatic heteropolycyclic compoundterpene lactonealpha,beta-unsaturated carboxylic esterorganic oxidepyranoneoxanedelta_valerolactoneorganoheterocyclic compoundenoate esteralcoholoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebicyclic monoterpenoid11-noriridane monoterpenoidorganooxygen compound |
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