| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:27 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051515 |
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| Frequency | 63.4 |
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| Structure | |
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| Chemical Formula | C14H26O4 |
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| Molecular Mass | 258.1831 |
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| SMILES | CC(CCCC1(C)CCC(C(C)(C)O)O1)C(=O)O |
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| InChI Key | KOLOBUSWVGWERE-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherorganic oxidealiphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholmethyl-branched fatty acidtetrahydrofuranbranched fatty acidoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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