| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:13 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176704 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17ClO10 |
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| Molecular Mass | 392.051 |
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| SMILES | COc1cc(CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(Cl)c1O |
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| InChI Key | BQFVGGPASMJJJA-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 acid esterscarboxylic acidschlorobenzenesdicarboxylic acids and derivativesglucuronic acid derivativeshalophenolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-chlorophenolsorganic oxidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenearyl halide2-halophenoloxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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