| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:52 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040581 |
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| Frequency | 85.1 |
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| Structure | |
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| Chemical Formula | C21H24O12S |
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| Molecular Mass | 500.0988 |
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| SMILES | O=S(O)c1cc(O)cc2c1CC(O)C(c1ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c1)O2 |
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| InChI Key | XJNFUNYATFULGO-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersflavan-3-olshydrocarbon derivativesmonosaccharidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherorganosulfur compoundsulfinic acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundchromaneflavonoid-3p-o-glycosideoxaneflavan-3-olprimary alcoholorganoheterocyclic compoundalcoholbenzopyranflavonoid o-glycosideoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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