| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19Cl3O10 |
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| Molecular Mass | 524.0044 |
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| SMILES | O=C(O)C1(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)OC(C(O)CO)C(O)C(O)C1O |
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| InChI Key | KGERQMAWMDWZAT-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzenesdiphenylethersglucuronic acid derivativeshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenoxyacetic acid derivativesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1,3-dichlorobenzenebeta-hydroxy acidorganic oxideacetalketaloxaneprimary alcoholorganoheterocyclic compoundaryl chloridec-glucuronidechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compounddiphenylether |
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