| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H30O11 |
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| Molecular Mass | 506.1788 |
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| SMILES | O=C(CC(Cc1cccc(O)c1)C(CO)Cc1cccc(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OYESXFRSKLBHEF-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidedibenzylbutane lignan skeletonbeta-hydroxy acidsaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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