| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:46 UTC |
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| Update Date | 2025-03-25 00:52:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22Cl3NO8 |
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| Molecular Mass | 437.0411 |
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| SMILES | CC(=O)NC1C(O)C(CCl)OC1(CCl)OC1OC(CCl)C(O)C(O)C1O |
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| InChI Key | PWFACIKKKBXUBI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | ketals |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl chloridescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxideketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideoxaneorganoheterocyclic compoundacetamidealcoholtetrahydrofurancarboxamide groupoxacyclesecondary carboxylic acid amidesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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