| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:28 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O6 |
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| Molecular Mass | 354.1103 |
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| SMILES | COc1ccc(C2OC(c3ccc4c(c3)OCO4)C3C(=O)OCC23)cc1 |
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| InChI Key | ACDJJEGVKQRSEG-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 | lignan lactones |
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| Subclass | lignan lactones |
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| Direct Parent | lignan lactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 7,7'-epoxylignansacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acid estersdialkyl ethersfurofuransgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedialkyl etherlignan lactonelactoneorganic oxideacetalaromatic heteropolycyclic compoundfurofuranorganoheterocyclic compoundbenzodioxoletetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativetetrahydrofuran lignanbenzenoidphenoxy compound7,7p-epoxylignanorganooxygen compound |
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