| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O6 |
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| Molecular Mass | 310.1416 |
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| SMILES | CC(C)(C)c1cc(OCC(=O)CC(O)CC(=O)O)ccc1O |
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| InChI Key | CKRVJXCLRVFJAS-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 | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersbeta hydroxy acids and derivativesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidketonephenylpropanebeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcohol4-alkoxyphenolhydroxy acidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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