| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:34 UTC |
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| Update Date | 2025-03-21 18:37:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114148 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC(C)(O)C(=O)CCC(=O)O |
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| InChI Key | XFVVJCLFOGFVBD-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesbranched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinhydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
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