| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:37 UTC |
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| Update Date | 2025-03-21 17:58:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012266 |
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| Frequency | 371.5 |
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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)C(CC(=O)O)C(=O)O |
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| InChI Key | RKAFKUROUOLPOL-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 | methyl-branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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