| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:25 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O3 |
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| Molecular Mass | 330.2195 |
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| SMILES | CC1CCC(C(C)C)C(Oc2ccc(CC3CCC(=O)O3)cc2)C1 |
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| InChI Key | VQXPRSFGVXDKRH-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaromatic monoterpenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmenthane monoterpenoidsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneterpene lactoneorganic oxideorganoheterocyclic compoundtetrahydrofurangamma butyrolactonep-menthane monoterpenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaromatic monoterpenoid |
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