| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:22 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H30O10 |
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| Molecular Mass | 502.1839 |
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| SMILES | COc1ccc(CC2C(=O)CCC2Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)cc1 |
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| InChI Key | UWQSMGZCQTYNST-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 benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketonealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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