| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:06 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11ClO6 |
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| Molecular Mass | 226.0244 |
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| SMILES | O=C(O)C1OC(O)(CCl)CC(O)C1O |
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| InChI Key | MBFIBVCNJIXLAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetalalkyl halideoxane1,2-diolalcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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