| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O8 |
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| Molecular Mass | 400.1158 |
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| SMILES | COc1ccc(C2c3cc4c(cc3C(O)C3COC(=O)C2O3)OCO4)cc1OC |
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| InChI Key | OQRPJMXGFUZQQO-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 | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-dioxanesacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedialkyl etherlactonedimethoxybenzeneorganic oxideacetalaromatic heteropolycyclic compoundo-dimethoxybenzeneorganoheterocyclic compoundbenzodioxolealcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolepara-dioxanecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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