| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:35 UTC |
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| Update Date | 2025-03-21 18:04:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049521 |
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| Frequency | 66.6 |
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| Structure | |
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| Chemical Formula | C15H28O4 |
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| Molecular Mass | 272.1988 |
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| SMILES | CC(CCCC1(C)CCCC(C(C)(C)O)O1)C(=O)O |
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| InChI Key | PGHMOBIYKDLOON-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 compoundsoxanestertiary alcohols |
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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 acidoxaneorganoheterocyclic compoundalcoholmethyl-branched fatty acidbranched fatty acidoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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