| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26O15 |
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| Molecular Mass | 506.1272 |
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| SMILES | COc1cc(O)cc(C(=O)OCC2OC(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)c1 |
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| InChI Key | GUXWMEIFEVARKN-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsm-hydroxybenzoic acid esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalm-methoxybenzoic acid or derivativesoxanem-hydroxybenzoic acid esterorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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