| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:41 UTC |
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| Update Date | 2025-03-21 18:06:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063775 |
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| Frequency | 48.3 |
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| Structure | |
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| Chemical Formula | C18H22O5 |
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| Molecular Mass | 318.1467 |
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| SMILES | OCC(Cc1cccc(O)c1)C(CO)Cc1ccc(O)cc1O |
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| InChI Key | WFHMEMRECRDYCT-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 benzenoidsbenzene and substituted derivativeshydrocarbon derivativesprimary alcoholsresorcinols |
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| Substituents | alcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidresorcinolaromatic homomonocyclic compounddibenzylbutane lignan skeletonorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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