| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135281 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C18H15Cl3O8 |
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| Molecular Mass | 463.9832 |
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| SMILES | O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2cc(Cl)cc(Cl)c2)C(O)C(O)C1O |
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| InChI Key | PQHGDMHSSFEWIN-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 acidsdiarylethersdichlorobenzenesdiphenylethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1,3-dichlorobenzene1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compounddiphenylether |
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