| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:20:37 UTC |
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| Update Date | 2025-03-21 20:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00391802 |
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| Frequency | 4.7 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | C=COC(=O)CC(C)=O |
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| InChI Key | ZEYMDLYHRCTNEE-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 | enol estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeenol esterorganooxygen compound |
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