| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7IO2 |
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| Molecular Mass | 213.9491 |
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| SMILES | COC(=O)C(C)I |
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| InChI Key | BALADIHEPAEKQJ-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 | alpha-halocarboxylic acids and derivatives |
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| Direct Parent | alpha-halocarboxylic acid derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl iodidescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganoiodides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganohalogen compoundalkyl iodideorganoiodidealpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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