| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17ClO9 |
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| Molecular Mass | 424.0561 |
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| SMILES | O=C(O)c1cccc(-c2ccc(Cl)cc2)c1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NLRIEDIZXXJTGC-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-carboxy-2-haloaromatic compoundsacetalsaryl chloridesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundschlorinated biphenylschlorobenzenesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridebenzoylo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidaryl halideoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenephenoxy compoundchlorinated biphenyl |
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