| 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 | DMID02179898 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28O6 |
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| Molecular Mass | 376.1886 |
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| SMILES | COc1cc(CC(CO)C(Cc2cccc(O)c2)C(CO)CO)ccc1O |
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| InChI Key | YMMXWDMIERDSSL-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesfatty alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundsprimary alcohols |
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| Substituents | alcoholfatty acylphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compounddibenzylbutane lignan skeletonorganic oxygen compoundfatty alcoholanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholorganooxygen compound |
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