| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:56:37 UTC |
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| Update Date | 2025-03-21 18:05:01 UTC |
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| HMDB ID | HMDB0128024 |
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| Metabolite Identification |
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| DeepMet ID | DMID00054167 |
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| Name | 6-(3,4-dihydroxy-5-methoxybenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 59.5 |
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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)cc(O)c1O |
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| InChI Key | ICHRGXHLARIDCV-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 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 derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsm-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundp-hydroxybenzoic acid estermethoxyphenolbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalm-methoxybenzoic acid or derivativesoxanem-hydroxybenzoic acid esterorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenep-hydroxybenzoic acid alkyl esteroxacycleorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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