| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28O15 |
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| Molecular Mass | 532.1428 |
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| SMILES | COc1ccc(C=CC(=O)OC2C(O)C(O)C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)cc1O |
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| InChI Key | UJQIBGFQSKRXIB-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 benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acido-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidacetaloxaneorganoheterocyclic compoundenoate esteralcoholcyclohexanolcyclitol or derivativesmethoxybenzenefatty acid esteranisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundfatty acylcarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidoxacyclepyransecondary alcoholbenzenoid |
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