| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:29 UTC |
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| Update Date | 2025-03-21 18:33:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094376 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C6H9ClO6 |
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| Molecular Mass | 212.0088 |
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| SMILES | O=C(O)C1(O)OC(CCl)C(O)C1O |
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| InChI Key | NBVNAFYHXHCSEG-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 | 1,2-diolsalkyl chloridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetalalkyl halideorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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