Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:19 UTC |
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Update Date | 2025-03-21 18:35:04 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103768 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C13H15ClO8 |
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Molecular Mass | 334.0455 |
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SMILES | COc1ccc(Cl)cc1OC1C(O)OC(C(=O)O)C(O)C1O |
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InChI Key | YBHZDHUMZRZNDP-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 | glucuronic acid derivatives |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 1,2-diolsalkyl aryl ethersanisolesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundorganochloridemonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenearyl halideoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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