| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:43 UTC |
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| Update Date | 2025-03-21 18:35:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107198 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C13H14Cl2O8 |
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| Molecular Mass | 368.0066 |
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| SMILES | COc1cc(Cl)c(Cl)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | GYFILKXSWAJPMP-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 | acetalsalkyl aryl ethersanisolesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdichlorobenzenesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetal1,2-dichlorobenzeneoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenearyl halideoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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