| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:57 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253768 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26O13 |
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| Molecular Mass | 486.1373 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)OC1C(O)C(O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)C1O |
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| InChI Key | WPZVEUZXGLTKPY-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 benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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