Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:05 UTC |
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Update Date | 2025-03-21 18:34:57 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103183 |
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Frequency | 26.3 |
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Structure | |
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Chemical Formula | C14H18O5 |
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Molecular Mass | 266.1154 |
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SMILES | CCC(CCC(=O)O)COC(=O)c1ccc(O)cc1 |
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InChI Key | BNBBNZYGLAPNFU-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 | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxides |
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Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidp-hydroxybenzoic acid alkyl esterbranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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