| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:11 UTC |
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| Update Date | 2025-03-21 18:02:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041364 |
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| Frequency | 83.1 |
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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 | COc1cc(CCC(O)Cc2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | RITABXTYSKSSFG-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 benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolnorlignan skeletonalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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