| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:45 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20Cl2O13 |
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| Molecular Mass | 514.0281 |
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| SMILES | O=C(O)C1OC(Oc2cc(Cl)ccc2OC2OC(C(=O)O)C(O)C(O)C2Cl)C(O)C(O)C1O |
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| InChI Key | LDAXBCDTFBWWRT-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 chloridesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneschlorohydrinsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidchlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochlorideo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl halideoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidaryl halideoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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