| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:15 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154105 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O11 |
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| Molecular Mass | 430.1475 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2C(O)OC(C(O)O)C(O)C2O)c1OC |
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| InChI Key | CHZBAXMPQUBZGK-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 heteromonocyclic compounds |
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| Alternative Parents | 1,1-diols1,2-diolsalkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratescarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenesaccharideorganic oxideo-dimethoxybenzenehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholtetrahydrofuran1,1-diolgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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