| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:33 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O11 |
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| Molecular Mass | 464.1319 |
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| SMILES | COc1ccc(C2Oc3cc(O)ccc3CC2O)cc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | QUZTUAQNLIIAKC-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavan-3-olsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundchromanehemiacetaloxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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