| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:46 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26O8 |
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| Molecular Mass | 418.1628 |
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| SMILES | COc1cc(CC(CO)C(CC(=O)C(=O)O)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | CBIAAVUACBVVCW-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 ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonedibenzylbutane lignan skeletonorganic oxidealpha-keto acidhydroxy fatty acidprimary alcoholalcoholmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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