| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O7 |
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| Molecular Mass | 362.1366 |
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| SMILES | O=C(O)CCC(Cc1ccc(O)c(O)c1)C(O)Cc1cc(O)cc(O)c1 |
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| InChI Key | VNXNPKDDASUFLM-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 benzenoidsbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinolssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidnorlignan skeletoncarboxylic acid derivativemedium-chain hydroxy acidresorcinolorganic oxidemedium-chain fatty acidhydroxy fatty acidalcohol1-hydroxy-4-unsubstituted benzenoidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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