| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:16 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O3 |
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| Molecular Mass | 156.0786 |
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| SMILES | CC(C)CCOC(=O)C=C=O |
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| InChI Key | XLTIBQMRDIYFNR-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 derivativesketenesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatecarboxylic acid esterhydrocarbon derivativeketeneorganooxygen compound |
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