| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O5 |
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| Molecular Mass | 246.1467 |
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| SMILES | CC(=O)OC(C(C)C)C(OC(C)=O)C(C)(C)O |
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| InChI Key | SSIMLAHLERMQSN-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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