Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:15 UTC |
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Update Date | 2025-03-21 18:35:02 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103608 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C7H12O3 |
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Molecular Mass | 144.0786 |
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SMILES | CCCOC(=O)CC(C)=O |
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InChI Key | DHGFMVMDBNLMKT-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 | beta-keto acids and derivatives |
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Direct Parent | beta-keto acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | carboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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