| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:31:09 UTC |
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| Update Date | 2025-03-24 20:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01565369 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC=CC(C=O)OC(C)=O |
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| InChI Key | PHRDIURWSHJLDF-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-acyloxy aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldehydescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraldehydehydrocarbon derivativecarboxylic acid derivativealpha-acyloxy aldehyde |
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