| 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 | DMID02171076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O11 |
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| Molecular Mass | 462.1162 |
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| SMILES | COc1cc(-c2coc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3c2=O)ccc1O |
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| InChI Key | UTKFKGICJXXYTR-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 derivativesisoflavonesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyranones and derivativessecondary alcoholsvinylogous esters |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethersaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundisoflavonealcoholbenzopyranvinylogous esterheteroaromatic compoundisoflavonoid o-glycosidemethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundisoflavonoid-5-o-glycosideorganooxygen compound |
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