| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:26:35 UTC |
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| Update Date | 2025-03-25 01:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02540776 |
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| Frequency | 0.5 |
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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 | C=C(OC=O)C(C)=O |
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| InChI Key | FZSLUFDYQSTTSB-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-branched alpha,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenol estersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativeacryloyl-groupenol esterenone |
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