| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:19 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13ClO7 |
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| Molecular Mass | 256.035 |
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| SMILES | O=C(O)C1(O)CC(O)C(Cl)C(C(O)CO)O1 |
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| InChI Key | AWYSMNXHAKCNHN-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundhemiacetalalkyl halideoxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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