| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:49:15 UTC |
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| Update Date | 2025-03-21 18:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00179514 |
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| Frequency | 12.9 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC(=O)CC(=C=O)C(=O)O |
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| InChI Key | KSVJFAKERIYHGE-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesketenesketonesmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivativesunsaturated fatty acidsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeketeneorganooxygen compound |
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