| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:31 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186532 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25NO5 |
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| Molecular Mass | 371.1733 |
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| SMILES | NCC(O)COc1ccc(CC2C(=O)OCC2Cc2cccc(O)c2)cc1 |
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| InChI Key | XSJRYOJFNDLFDX-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 etherscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelignan lactonelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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