| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22O10 |
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| Molecular Mass | 458.1213 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)CC(=O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | KGFKYJHHBVMYLN-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 benzenoidsacetalsacryloyl compoundsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidsenonesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesketone1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenonealcoholpyran carboxylic acid or derivativeshydroxy acidphenylketonehydroxycinnamic acidbutyrophenoneoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundalkyl-phenylketonearyl ketone |
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