| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:28 UTC |
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| Update Date | 2025-03-21 18:03:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044498 |
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| Frequency | 76.0 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | CCOC(=O)C(O)C(O)C(=O)OC(C)=O |
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| InChI Key | VTOCMGIEIVVAOM-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acid estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidetricarboxylic acid or derivativeshydroxy acidfatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estercarboxylic acid anhydridesecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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