| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:48 UTC |
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| Update Date | 2025-03-21 18:41:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133629 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C12H9Cl5O7 |
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| Molecular Mass | 439.8791 |
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| SMILES | O=C(O)C1OC(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(O)C(O)C1O |
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| InChI Key | KYVJLPHWVYWVPT-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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