| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:38 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150297 |
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| Frequency | 0.5 |
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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(C2C(O)C(c3ccc4c(c3)OCO4)C3COC(=O)C32)cc1O |
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| InChI Key | PEMFMHSCTKTPIH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolealcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidcyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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