| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200666 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O14S |
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| Molecular Mass | 544.0887 |
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| SMILES | COc1ccc(C2Oc3cc(OS(=O)(=O)O)ccc3CC2O)cc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | ZFMSRXRLVWXKJC-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 | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans3-hydroxyflavonoidsalkyl aryl ethersanisolesarylsulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavan-3-olsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoestercarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranflavanmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundchromanehemiacetalarylsulfateoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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