| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:39 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 | DMID02150298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O7 |
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| Molecular Mass | 398.1366 |
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| SMILES | COc1ccc(C2C(O)C(c3ccc4c(c3)OCO4)C3COC(=O)C32)cc1OC |
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| InChI Key | BXKTXOUASILQIQ-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 | acetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzeneorganic oxideacetalaromatic heteropolycyclic compoundo-dimethoxybenzeneorganoheterocyclic compoundbenzodioxolealcoholtetrahydrofurancyclic alcoholgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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