| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:21 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186115 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H26O10 |
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| Molecular Mass | 462.1526 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOc1ccc(CC2CCC(=O)O2)cc1O |
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| InChI Key | ZQRBSIZDKUDWCJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideacetalorganoheterocyclic compoundalcoholpyrogallol derivativetetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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