| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:39 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097188 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C18H22O11 |
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| Molecular Mass | 414.1162 |
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| SMILES | COc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)OC2C(O)CO)ccc1O |
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| InChI Key | YRLCKGQPRMWIQB-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidehemiacetaloxaneprimary alcoholorganoheterocyclic compoundenoate esterc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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