| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181911 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)C(=O)CC(=O)C(O)Cc1cccc(O)c1 |
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| InChI Key | XUBJBKHRMAEODE-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-acylpyruvic acidsacyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy fatty acidalcohol3-acylpyruvic acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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