| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:07 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136595 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C24H24O11 |
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| Molecular Mass | 488.1319 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1cccc(OC2OC(C(=O)O)C(O)C(C(=O)O)O2)c1 |
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| InChI Key | OLIITCQFRVRQBL-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 | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acid orthoesterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativeslignan lactonesorganic oxidesortho estersoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundortho esterdibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid orthoestercarboxylic acid derivativelignan lactonelactonebeta-hydroxy acidorganic oxideorthocarboxylic acid derivativeorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundmeta-dioxaneorganooxygen compound |
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