| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:13:12 UTC |
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| Update Date | 2025-03-21 18:32:59 UTC |
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| HMDB ID | HMDB0128048 |
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| Metabolite Identification |
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| DeepMet ID | DMID00093711 |
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| Name | 6-(2,4-dihydroxy-5-methoxybenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C14H16O11 |
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| Molecular Mass | 360.0693 |
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| SMILES | COc1cc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c(O)cc1O |
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| InChI Key | JSAUAYFKXGDCEH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsacetalsalkyl aryl ethersanisolesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidsresorcinolssalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidp-hydroxybenzoic acid esterbenzoylmethoxyphenolo-glucuronidemonosaccharidepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundhydrolyzable tanninalcoholmethoxybenzenevinylogous acidsalicylic acid or derivativeso-hydroxybenzoic acid esteranisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidem-methoxybenzoic acid or derivatives4-alkoxyphenolpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidp-hydroxybenzoic acid alkyl esteroxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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