| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H24O9 |
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| Molecular Mass | 420.142 |
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| SMILES | COc1cc2c(cc1OC)C(C(=O)O)C(O)C(c1cc(OC)c(OC)c(OC)c1)O2 |
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| InChI Key | UZDWHFUPKXTPNA-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 | 6-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans3'-o-methylated flavonoids3-hydroxyflavonoids4'-o-methylated flavonoids7-o-methylated flavonoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavan-3-olshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethercarboxylic acid1-benzopyran6-methoxyflavonoid-skeletonflavanalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranhydroxy acidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonphenoxy compoundorganooxygen compound |
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