| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O6 |
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| Molecular Mass | 342.1103 |
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| SMILES | COc1cc(C2OC(=O)C3C(c4ccc(O)cc4)OCC23)ccc1O |
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| InChI Key | WPGVPRRQCFGEMA-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 lactones |
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| Subclass | lignan lactones |
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| Direct Parent | lignan lactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersdialkyl ethersfuran lignansfurofuran lignansfurofuransgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherfurofuran lignan skeleton1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedialkyl etherlignan lactonelactoneorganic oxidearomatic heteropolycyclic compoundfurofuranorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclefuran lignan skeletonmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterfuranoid lignanphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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