| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:01 UTC |
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| Update Date | 2025-03-25 01:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H25ClO10 |
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| Molecular Mass | 508.1136 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1ccc(Cl)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | MIPVSOYMOSREAA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | lignan glycosides |
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| Subclass | lignan glycosides |
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| Direct Parent | lignan glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidschlorobenzenesdibenzylbutyrolactone lignansdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeslignan lactonesmonosaccharideso-glucuronidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidorganochloridelignan glycosideo-glucuronidemonosaccharidepyran carboxylic acidlignan lactone1-o-glucuronidebeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholaryl halidecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativehalobenzenephenoxy compoundcarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundlactoneorganic oxide9,9p-epoxylignanpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundpyranfuranoid lignansecondary alcoholtetrahydrofuran lignanbenzenoidorganooxygen compound |
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