| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:46 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O7S |
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| Molecular Mass | 396.1243 |
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| SMILES | COc1cc(CC(CO)C(CO)Cc2ccc(O)c(S(=O)O)c2)ccc1O |
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| InChI Key | GWPULSOKABSPCS-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 benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsphenoxy compoundsprimary alcoholssulfinic acids |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundmethoxybenzenesulfinic acidaromatic homomonocyclic compounddibenzylbutane lignan skeletonorganic oxideorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholorganooxygen compound |
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