| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:43 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059106 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C26H28O12 |
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| Molecular Mass | 532.1581 |
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| SMILES | O=C1CCC(Cc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | MXSGWQUZYMTILE-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 o-glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2'-hydroxy-dihydrochalconesacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acid esterscarboxylic acidscinnamylphenolsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuransvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundalcoholphenylketonevinylogous acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundalkyl-phenylketonearyl ketonecarbonyl group2'-hydroxy-dihydrochalconeglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcinnamylphenolcarboxylic acid derivativelactoneorganic oxidelinear 1,3-diarylpropanoidpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidflavonoid o-glycosidegamma butyrolactonebutyrophenoneoxacycleorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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