| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:59 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O13 |
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| Molecular Mass | 456.0904 |
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| SMILES | O=C(O)CCC(=O)OC1C(C(=O)O)OC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1O |
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| InChI Key | XPSKBSRMFQFHEN-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivatives |
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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 derivativesorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativestetracarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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