| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:12 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O7 |
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| Molecular Mass | 394.1992 |
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| SMILES | CC(C)(C)c1cc(C(=O)OCC(CCC(=O)O)C(=O)O)cc(C(C)(C)C)c1O |
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| InChI Key | LOZAIKKTAIXRQB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesphenolsphenylpropanestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativescarboxylic acid derivativep-hydroxybenzoic acid alkyl esterphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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