| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28O10 |
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| Molecular Mass | 488.1682 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1cccc(OC2(C(=O)O)CC(O)C(O)C(O)C2O)c1 |
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| InChI Key | STYXYGOEZNEOBB-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 benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeslignan lactonesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativesquinic acids and derivativestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelignan lactonelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundquinic acid |
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