| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:41:35 UTC |
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| Update Date | 2025-03-24 17:55:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01014248 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC(C)OC(=O)C(C)C=O |
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| InChI Key | QMTJYJTXTWPWBA-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 | 1,3-dicarbonyl compounds |
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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 derivative1,3-dicarbonyl compoundcarboxylic acid derivative |
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