| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO4 |
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| Molecular Mass | 323.1158 |
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| SMILES | N#Cc1cc(CC2C(=O)OCC2Cc2cccc(O)c2)ccc1O |
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| InChI Key | VMZXTDLPVCQAHJ-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 benzenoidsbenzonitrilescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilearomatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelignan lactonelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidbenzonitrilegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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