| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:20 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12Cl2O9 |
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| Molecular Mass | 381.9858 |
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| SMILES | O=C(O)c1c(Cl)ccc(Cl)c1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OKLMSYBQWBBNIK-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 compounds2-halobenzoic acids3-halobenzoic acidsacetalsaryl chloridesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesdichlorobenzenesdichlorobenzoic acidsglucuronic acid derivativeshalobenzoic acidshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholsvinylogous halides |
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| Substituents | phenol ethermonocyclic benzene moiety2-halobenzoic acidcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acid3-halobenzoic acidacetal1-carboxy-2-haloaromatic compoundoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholhalobenzoic acidvinylogous halidearyl halidedicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundcarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidebenzoic acidpyran carboxylic acid or derivatives1,4-dichlorobenzenebenzoic acid or derivativeshydroxy acidhalobenzoic acid or derivatives2-halobenzoic acid or derivativesoxacyclepyransecondary alcohol2,5-dichlorobenzoic acidbenzenoid |
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