| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H19IO7 |
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| Molecular Mass | 510.0176 |
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| SMILES | COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1I |
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| InChI Key | RWUHOURKYIELEM-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 | acetalsalkyl aryl ethersanisolesaryl iodidesaryltetralin lignansbenzodioxolescarbonyl compoundscarboxylic acid estersdimethoxybenzenesfuranonaphthodioxolesgamma butyrolactoneshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofuranstetralins |
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| Substituents | linear furanonaphthodioxoletetralinphenol ethermonocyclic benzene moietycarbonyl groupether1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelignan lactonelactonedimethoxybenzeneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolealcoholnaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundorganooxygen compound |
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