| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:33 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H16O11 |
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| Molecular Mass | 432.0693 |
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| SMILES | O=C(O)C1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)CC1O |
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| InChI Key | ZTJBWUMBFOGJAV-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-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcoholstetrahydrofuransvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundflavonoid-3-o-glycosidepyranoneorganoheterocyclic compoundalcoholbenzopyrantetrahydrofuranheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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