| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:38 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O6 |
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| Molecular Mass | 334.1416 |
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| SMILES | COc1cc(CCC(CO)C(O)c2ccc(O)c(O)c2)ccc1O |
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| InChI Key | RTJNXIBAPXAPJN-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 | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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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 ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolnorlignan skeleton1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholorganooxygen compound |
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