| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:02 UTC |
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| Update Date | 2025-03-21 18:04:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052872 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | COC(=O)C1OC(OC(=O)c2ccccc2O)C(O)C(O)C1O |
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| InChI Key | HSQLKBRFUMXVAU-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidsalicylic acid or derivativeso-hydroxybenzoic acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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