| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:39:18 UTC |
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| Update Date | 2025-03-21 17:58:21 UTC |
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| HMDB ID | HMDB0134111 |
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| Metabolite Identification |
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| DeepMet ID | DMID00013848 |
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| Name | 6-(2,5-dihydroxybenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 320.9 |
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| Structure | |
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| Chemical Formula | C13H14O10 |
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| Molecular Mass | 330.0587 |
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| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1cc(O)ccc1O |
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| InChI Key | YAGJPDZXQJULAP-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 benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroquinonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssalicylic acid and derivativessecondary alcoholsvinylogous acidsm-hydroxybenzoic acid esterso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxanem-hydroxybenzoic acid esterorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidhydroquinoneoxacyclevinylogous acidsalicylic acid or derivativeso-hydroxybenzoic acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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