| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:02 UTC |
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| Update Date | 2025-03-21 17:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022126 |
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| Frequency | 179.6 |
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| Structure | |
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| Chemical Formula | C6H12O3 |
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| Molecular Mass | 132.0786 |
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| SMILES | CC(CO)C(C)C(=O)O |
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| InChI Key | QSMSJHRQUBQMKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compound |
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