| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:48 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19ClN2O7S |
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| Molecular Mass | 454.0602 |
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| SMILES | O=C(O)C1OC(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)C(O)C(O)C1O |
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| InChI Key | VLDWQKRIZBEXOX-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 | acetalsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-phenylthioureasorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholsthioureas |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupthioureacarboxylic acidn-phenylthioureaaromatic heteromonocyclic compoundorganochlorideo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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