| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:19 UTC |
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| Update Date | 2025-03-21 18:05:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055781 |
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| Frequency | 57.3 |
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| Structure | |
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| Chemical Formula | C22H20O11 |
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| Molecular Mass | 460.1006 |
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| SMILES | COc1ccc(-c2coc3cc(O)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3c2=O)cc1 |
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| InChI Key | ZLIRAFBZMXYDEM-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 | isoflavonoids |
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| Subclass | isoflavonoid o-glycosides |
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| Direct Parent | isoflavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranisoflavonoid-6-o-glycosideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundisoflavonealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundisoflavonoid o-glycosidehydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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