| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:02 UTC |
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| Update Date | 2025-03-25 00:48:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167162 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O6 |
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| Molecular Mass | 206.079 |
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| SMILES | CC(C(=O)O)C(C)(C(=O)O)C(O)CO |
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| InChI Key | ITYQENPGINIBLZ-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compound1,2-diol |
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