| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:29 UTC |
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| Update Date | 2025-03-21 18:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025450 |
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| Frequency | 151.7 |
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| Structure | |
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| Chemical Formula | C17H20O11 |
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| Molecular Mass | 400.1006 |
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| SMILES | COc1cc(C=CC(=O)OC2C(C(=O)O)OC(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | LDZTYOWBDGRSTK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershemiacetalshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesdimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativesmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterm-dimethoxybenzenepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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