| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:55 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20O11 |
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| Molecular Mass | 460.1006 |
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| SMILES | COC(=O)C1OC(Oc2c(-c3ccc(O)cc3)oc3ccc(O)cc3c2=O)C(O)C(O)C1O |
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| InChI Key | BMPJKLOUOKLDDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid-3-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids6-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundschromonesflavonoid-3-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetalchromonearomatic heteropolycyclic compoundflavonoid-3-o-glucuronideflavonoid-3-o-glycosidepyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivatives6-hydroxyflavonoidheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrancarboxylic acid estersecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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