| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:53 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14ClNO8 |
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| Molecular Mass | 359.0408 |
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| SMILES | COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)ccc(C#N)c1Cl |
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| InChI Key | FUPOOEXZBGKUKT-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 chloridesbenzonitrilesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanecarbonitrileorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenebenzonitrilearyl halideoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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