| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:38:18 UTC |
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| Update Date | 2025-03-21 17:58:00 UTC |
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| HMDB ID | HMDB0128023 |
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| Metabolite Identification |
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| DeepMet ID | DMID00011502 |
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| Name | 6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 401.5 |
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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)O)cc(O)c1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XFEXVGIHNGUIFM-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 ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmethoxyphenolbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalbenzoic acidm-methoxybenzoic acid or derivativesoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxybenzoic acidoxacycleorganic oxygen compoundpyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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