| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:30:32 UTC |
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| Update Date | 2025-03-24 22:14:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01131125 |
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| Frequency | 1.2 |
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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 | C=CC(=O)OC(C)C(C)=O |
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| InChI Key | LLFUERBFKBLTIE-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 ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | enoate estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate esteraliphatic acyclic compoundalpha-acyloxy ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivative |
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