| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:28 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016400 |
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| Frequency | 260.5 |
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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 | CCC(=O)CC(C)C(=O)O |
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| InChI Key | XWNQNPYBBPLMDJ-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 | carboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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