| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O11 |
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| Molecular Mass | 450.1162 |
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| SMILES | COc1cc(C2Cc3c(O)cc(OC4C(O)OC(C(=O)O)C(O)C4O)cc3O2)ccc1O |
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| InChI Key | SYQHYAPDMBMKKJ-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 | 2-arylbenzofuran flavonoids |
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| Subclass | 2-arylbenzofuran flavonoids |
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| Direct Parent | 2-arylbenzofuran flavonoids |
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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 benzenoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransglucuronic acid derivativeshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives2-arylbenzofuran flavonoid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compoundcoumaran1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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