| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:35 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O6 |
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| Molecular Mass | 368.126 |
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| SMILES | O=C(O)C=Cc1cc(CC2C(=O)OCC2Cc2cccc(O)c2)ccc1O |
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| InChI Key | LVSMNWUZTXAGPT-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeshydroxycinnamic acidslignan lactonesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acid or derivativeslignan lactonelactonecinnamic acid or derivativesorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxycinnamic acidoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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