| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:12 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169763 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O4 |
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| Molecular Mass | 156.0423 |
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| SMILES | CCOC(=O)C(=C=O)C(C)=O |
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| InChI Key | QREFAHDWZILLLK-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 | acryloyl compoundscarboxylic acid estersenonesfatty acid estershydrocarbon derivativesketenesketonesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatecarboxylic acid esterhydrocarbon derivativeacryloyl-groupketeneorganooxygen compoundenone |
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