| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:09 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 | DMID00136661 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C18H18O4 |
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| Molecular Mass | 298.1205 |
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| SMILES | O=C1OCC(Cc2ccc(O)cc2)C1Cc1ccc(O)cc1 |
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| InChI Key | ONQJETBPCNSDIF-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurandibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelignan lactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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