| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:03 UTC |
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| Update Date | 2025-03-21 18:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033856 |
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| Frequency | 106.8 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CCOC(=O)C(O)C(O)C(C)=O |
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| InChI Key | NRTKWQYTKSKXQO-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 | 1,2-diolsacyloinsalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxide1,2-diolalcoholhydroxy acidgamma-keto acidfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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