| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:01:41 UTC |
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| Update Date | 2025-03-21 18:06:57 UTC |
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| HMDB ID | HMDB0040171 |
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| Metabolite Identification |
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| DeepMet ID | DMID00066175 |
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| Name | Heptyl 2-methylpropanoate |
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| Frequency | 46.1 |
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| Structure | |
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| Chemical Formula | C11H22O2 |
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| Molecular Mass | 186.162 |
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| SMILES | CCCCCCCOC(=O)C(C)C |
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| InChI Key | RFDUMBPGZUIKOG-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 | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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