| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:13 UTC |
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| Update Date | 2025-03-21 18:39:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125168 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C22H24O7 |
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| Molecular Mass | 400.1522 |
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| SMILES | COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)C1C(=O)OCC1C2O |
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| InChI Key | JSWBAXGHAWXCJU-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 | alkyl aryl ethersanisolesaryltetralin lignanscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnaphthofuransorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofuranstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupether1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelignan lactonelactoneorganic oxidearomatic heteropolycyclic compoundorganoheterocyclic compoundalcoholnaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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