| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:50 UTC |
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| Update Date | 2025-03-25 01:01:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O5 |
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| Molecular Mass | 340.1311 |
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| SMILES | Oc1ccc(C2c3cc4c(cc3C(O)C3CCCC23)OCO4)cc1O |
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| InChI Key | CSJVOBCGVFUDKX-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 | aryltetralin lignans |
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| Subclass | aryltetralin lignans |
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| Direct Parent | aryltetralin lignans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbenzodioxoleshydrocarbon derivativesoxacyclic compoundssecondary alcoholstetralins |
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| Substituents | alcoholtetralinmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-aryltetralin lignan1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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