| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:56 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 | DMID02253753 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O11 |
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| Molecular Mass | 398.0849 |
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| SMILES | O=C(C=Cc1cc(O)cc(O)c1)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | AZHXTUDDZMWTJD-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 benzenoidsacetalsacryloyl compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesbeta-keto acidresorcinolketone1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenonealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterpyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidacryloyl-group |
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