| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:37 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H34O12 |
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| Molecular Mass | 538.205 |
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| SMILES | COc1cc(CC(CO)C(COC2OC(CO)C(O)C(C(=O)O)O2)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | VOZQLPCSKCNBSU-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 | dibenzylbutane lignans |
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| Subclass | dibenzylbutane lignans |
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| Direct Parent | dibenzylbutane lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesortho estersoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundortho ester1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcarboxylic acid orthoesteralkyl aryl ethercarboxylic acid derivativedibenzylbutane lignan skeletonbeta-hydroxy acidorganic oxideorthocarboxylic acid derivativeprimary alcoholorganoheterocyclic compoundalcoholhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundmeta-dioxaneorganooxygen compound |
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