| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:50 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030931 |
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| Frequency | 119.7 |
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| Structure | |
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| Chemical Formula | C18H20O5 |
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| Molecular Mass | 316.1311 |
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| SMILES | O=C(O)C(Cc1cccc(O)c1)C(CO)Cc1cccc(O)c1 |
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| InChI Key | JFHRRMPKQNBJOD-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidsprimary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compounddibenzylbutane lignan skeletonorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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