| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:25 UTC |
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| Update Date | 2025-03-21 17:58:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011794 |
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| Frequency | 389.7 |
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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(C)C(CO)C(=O)O |
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| InChI Key | ZNUOZUQIVRRPAD-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary 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 oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compound |
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