| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:18:05 UTC |
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| Update Date | 2025-03-24 22:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01962186 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | C=CCC(C(=O)O)C(C)O |
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| InChI Key | XQIFCQQFALRWEO-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 | branched fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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