| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:48 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30O8 |
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| Molecular Mass | 422.1941 |
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| SMILES | CC(=O)OC1C(O)CC(O)(C(=O)O)CC1OC(=O)C(C)c1ccc(CC(C)C)cc1 |
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| InChI Key | LTYLTHDZYLWXGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativesp-cymenecarboxylic acid derivativephenylpropaneorganic oxidecyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidaromatic monoterpenoidquinic acid |
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