| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:48 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O3 |
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| Molecular Mass | 226.1569 |
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| SMILES | C=CC(OC(=O)C(C)C)C(C)C(=O)C(C)C |
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| InChI Key | GKSUNTABAXWTQQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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