| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:24 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128025 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CCOC(=O)C(O)C(=O)CC |
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| InChI Key | UUHYBSHURKSUCP-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 compoundsacyloinsalpha-hydroxy ketonescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonefatty acid estersaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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