| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:47 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H28O10 |
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| Molecular Mass | 476.1682 |
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| SMILES | COc1cc(C=CC(Cc2ccc(O)c(O)c2)OC2C(O)CC(O)(C(=O)O)CC2O)ccc1O |
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| InChI Key | XJKSVSVAIFCPJE-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 ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsquinic acids and derivativestertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolnorlignan skeletonalkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundquinic acid |
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