| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:17 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4 |
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| Molecular Mass | 174.0892 |
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| SMILES | COC(=O)C(CC(C)=O)C(C)O |
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| InChI Key | SDCJIKHZZLSBPM-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativesfatty acid estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl grouphydroxy acidcarboxylic acid derivativegamma-keto acidketonefatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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