| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:14 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H8BrClO3 |
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| Molecular Mass | 229.9345 |
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| SMILES | CCOC(=O)C(O)C(Cl)Br |
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| InChI Key | KMIRVUNDHVBBDU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | halohydrins |
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| Subclass | chlorohydrins |
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| Direct Parent | chlorohydrins |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl bromidesalkyl chloridesbromohydrinscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochloridessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupchlorohydrinalkyl chlorideorganochloridecarboxylic acid derivativealkyl bromideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundbromohydrincarboxylic acid estersecondary alcoholorganobromidealkyl halidehydrocarbon derivativeorganooxygen compound |
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