| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:14 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O4 |
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| Molecular Mass | 158.0579 |
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| SMILES | C=CC(=O)C(O)C(=O)OCC |
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| InChI Key | GYUCTVJJWIFTHZ-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsacyloinsalpha-hydroxy ketonescarboxylic acid estersenonesfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxideenonealcoholfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compound |
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