| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O11 |
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| Molecular Mass | 448.1006 |
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| SMILES | COc1cc(-c2cc3cc(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3o2)ccc1O |
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| InChI Key | VQYDQIMWKXOCRD-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-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | furanphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives2-arylbenzofuran flavonoido-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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