| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:52 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | COc1ccc(-c2coc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3c2=O)cc1 |
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| InChI Key | NQWBIXSIYABYIP-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 ethersanisoleschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherisoflavonoid-8-o-glycosidesaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundisoflavonealcoholbenzopyranheteroaromatic compoundisoflavonoid o-glycosidemethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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