| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:20:26 UTC |
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| Update Date | 2025-03-21 19:11:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00251857 |
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| Frequency | 8.3 |
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| Structure | |
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| Chemical Formula | C4H6O3 |
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| Molecular Mass | 102.0317 |
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| SMILES | COC(=O)CC=O |
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| InChI Key | AGADEVQOWQDDFX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundshort-chain aldehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esteralpha-hydrogen aldehydecarboxylic acid esterhydrocarbon derivative |
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