| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:17 UTC |
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| Update Date | 2025-03-21 18:02:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039222 |
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| Frequency | 88.9 |
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| Structure | |
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| Chemical Formula | C18H18O2 |
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| Molecular Mass | 266.1307 |
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| SMILES | O=C1OCC(Cc2ccccc2)C1Cc1ccccc1 |
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| InChI Key | QELUJSMWHDHUTE-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurandibenzylbutyrolactonecarboxylic acid derivativegamma butyrolactonelignan lactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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