| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H26O7 |
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| Molecular Mass | 450.1679 |
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| SMILES | COc1ccc(C2c3cc4cc(OC)c(OC)cc4cc3C(O)C3COC(=O)C23)cc1OC |
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| InChI Key | KJXPGVPIBOJZDB-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 estersdimethoxybenzenesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenesnaphthofuransorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofuranstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupether1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelignan lactonelactonedimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganoheterocyclic compoundalcoholnaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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