| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:09 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28O8 |
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| Molecular Mass | 408.1784 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)OC2CC(O)(C(=O)O)CC(O)(C(=O)O)C2)cc1 |
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| InChI Key | DWDIIQGMJYQSMK-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 | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativesp-cymenecarboxylic acid derivativephenylpropaneorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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