| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:05 UTC |
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| Update Date | 2025-03-21 17:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006338 |
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| Frequency | 817.7 |
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| Structure | |
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| Chemical Formula | C19H20O6 |
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| Molecular Mass | 344.126 |
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| SMILES | COc1cc(CC2C(=O)OCC2Cc2ccc(O)c(O)c2)ccc1O |
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| InChI Key | XBCBLTNWXORJGM-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 ethersanisolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelignan lactonelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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