| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:18 UTC |
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| Update Date | 2025-03-21 18:03:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044067 |
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| Frequency | 76.9 |
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| Structure | |
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| Chemical Formula | C18H24O10 |
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| Molecular Mass | 400.1369 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)OC(C(O)O)C(O)C1O |
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| InChI Key | GKBZYJLBEKADFD-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,1-diols1,2-diolsalkyl aryl etherscarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholtetrahydrofuran1,1-diolmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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