| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:15 UTC |
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| Update Date | 2025-03-21 18:36:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108532 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C12H18Cl2O10 |
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| Molecular Mass | 392.0277 |
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| SMILES | O=C(O)C1OC(CCl)(OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O |
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| InChI Key | JCCHAHKLXSDLML-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundalkyl halideoxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranhalohydrinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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