| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:18 UTC |
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| Update Date | 2025-03-21 18:33:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093933 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C26H28O12 |
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| Molecular Mass | 532.1581 |
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| SMILES | COc1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XGORZIIHXLKBPG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | lignan glycosides |
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| Subclass | lignan glycosides |
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| Direct Parent | lignan glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbenzodioxolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersfuran lignansfurofuran lignansfurofuransglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesfurofuran lignan skeletonlignan glycosideo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundfurofuranoxaneorganoheterocyclic compoundbenzodioxolealcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzeneoxacyclefuran lignan skeletonmonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolefuranoid lignansecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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