| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187145 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28O4 |
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| Molecular Mass | 320.1988 |
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| SMILES | CC(C)(C)c1cc(CC(=O)CCC(=O)O)cc(C(C)(C)C)c1O |
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| InChI Key | CSSOPSHLGCIMOC-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 | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | branched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenolsphenylpropanes |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compoundmedium-chain keto acid |
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