| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:07:58 UTC |
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| Update Date | 2025-03-21 20:48:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00361886 |
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| Frequency | 5.2 |
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| Structure | |
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| Chemical Formula | C5H6O3 |
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| Molecular Mass | 114.0317 |
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| SMILES | CC(=O)OC=CC=O |
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| InChI Key | PMDQRMBZKLISGT-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enol esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundcarbonyl groupshort-chain aldehydealdehydeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeenol esterorganooxygen compound |
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