| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:30:10 UTC |
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| Update Date | 2025-03-24 20:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01562927 |
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| Frequency | 0.8 |
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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 | O=C(O)C(=O)C(=O)C1CC1 |
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| InChI Key | CJNRNAQOXMEEOC-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 | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativealpha-diketonebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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