| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:55 UTC |
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| Update Date | 2025-03-21 18:39:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124429 |
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| Frequency | 20.7 |
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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)C(=O)OCC(O)C(O)C(=O)O |
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| InChI Key | JUSJXYWZFVSRNY-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-diolsalpha hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound1,2-diol |
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