| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:15 UTC |
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| Update Date | 2025-03-21 18:04:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053353 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C17H24O4 |
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| Molecular Mass | 292.1675 |
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| SMILES | Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)C(=O)O)C2 |
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| InChI Key | MEPRWWPKUYIOLJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidscoumaransheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundcoumaranmethyl-branched fatty acidbranched fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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