| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:25 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28O8 |
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| Molecular Mass | 420.1784 |
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| SMILES | COc1cc(CC(CO)C(Cc2ccc(O)c(OC)c2)C(O)CC(=O)O)ccc1O |
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| InChI Key | VGRJKADVFSTMMW-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddibenzylbutane lignan skeletonbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidprimary alcoholalcoholhydroxy acidmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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