| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:26 UTC |
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| Update Date | 2025-03-25 00:48:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H28O10 |
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| Molecular Mass | 500.1682 |
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| SMILES | CC1C(C(=O)O)OC(Oc2cccc(CC3C(=O)OCC3Cc3cccc(O)c3)c2)CC1(O)C(=O)O |
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| InChI Key | XSNPEXMKHMPXNH-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 | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | dibenzylbutyrolactone lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativeslignan lactonesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidstertiary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy aciddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlignan lactonelactoneorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycletertiary alcoholorganic oxygen compoundpyrancarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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