| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:05 UTC |
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| Update Date | 2025-03-21 18:40:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129634 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C21H20O7 |
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| Molecular Mass | 384.1209 |
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| SMILES | COc1ccc(C2c3cc4c(cc3C(O)C3C(=O)OCC23)OCO4)cc1OC |
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| InChI Key | WCHVBCOLVRRNTO-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 ethersanisolesaryltetralin lignansbenzodioxolescarbonyl compoundscarboxylic acid estersdimethoxybenzenesfuranonaphthodioxolesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofuranstetralins |
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| Substituents | linear furanonaphthodioxoletetralinphenol ethermonocyclic benzene moietycarbonyl groupether1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelignan lactonelactonedimethoxybenzeneorganic oxideacetalaromatic heteropolycyclic compoundo-dimethoxybenzeneorganoheterocyclic compoundbenzodioxolealcoholnaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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