| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:51 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28O11 |
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| Molecular Mass | 504.1632 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C1Cc1cc(O)cc(O)c1 |
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| InChI Key | TYRTVZQKEQXLDR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketonecarboxylic acid derivativepyran carboxylic acidresorcinolketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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