| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:24 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058361 |
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| Frequency | 54.2 |
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| Structure | |
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| Chemical Formula | C13H13ClO9 |
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| Molecular Mass | 348.0248 |
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| SMILES | O=C(O)c1cc(Cl)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NRVHQSBQQYDWEM-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 compounds3-halobenzoic acidsacetalsaryl chloridesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundschlorobenzenesdicarboxylic acids and derivativesglucuronic acid derivativeshalobenzoic acidshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-halobenzoic acid or derivativesorganochloridebenzoylo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxide3-halobenzoic acidacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholhalobenzoic acidpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidhalobenzoic acid or derivativesaryl halideoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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