| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:53 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100208 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C21H18O11 |
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| Molecular Mass | 446.0849 |
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| SMILES | O=C(O)C1CC(O)C(O)C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O1 |
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| InChI Key | MMDGYZZAOKYWAZ-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-3-o-glycosidesflavonoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalchromonearomatic heteropolycyclic compoundflavonoid-3-o-glucuronideflavonoid-3-o-glycosidepyranoneoxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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