| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15ClO9 |
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| Molecular Mass | 350.0405 |
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| SMILES | COc1cc(O)cc(Cl)c1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | SHMLQGLMUURSLI-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 | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsacetalsalkyl aryl ethersanisolesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshalophenolshydrocarbon derivativesm-chlorophenolsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridemethoxyphenolo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcohol3-halophenol3-chlorophenol4-alkoxyphenolpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenearyl halideoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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