| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:43:18 UTC |
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| Update Date | 2025-03-21 17:59:42 UTC |
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| HMDB ID | HMDB0128047 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022706 |
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| Name | 6-(4-carboxy-5-hydroxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 174.2 |
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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)c(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | WUHXWGCZGPXLGZ-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsacetalsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssalicylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidbenzoylmethoxyphenolo-glucuronidemonosaccharidesalicylic acidpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetal1-carboxy-2-haloaromatic compoundoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholmethoxybenzenehydroxybenzoic acidvinylogous acidsalicylic acid or derivativesanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidebenzoic acidm-methoxybenzoic acid or derivatives4-alkoxyphenolpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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