| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:59 UTC |
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| Update Date | 2025-03-21 18:33:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098025 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C6H9ClO5 |
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| Molecular Mass | 196.0139 |
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| SMILES | O=C1OC(CO)C(Cl)C(O)C1O |
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| InChI Key | IBTFNPAJPYMPDW-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid esterschlorohydrinsdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupchlorohydrindelta valerolactonealkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundlactoneorganic oxidegluconolactonealiphatic heteromonocyclic compoundalkyl halideoxaneprimary alcoholdelta_valerolactoneorganoheterocyclic compoundalcoholhalohydrinoxacyclemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivative |
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