| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12O10S |
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| Molecular Mass | 384.0151 |
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| SMILES | O=C1c2c(OS(=O)(=O)O)ccc(O)c2OC(c2ccc(O)c(O)c2)C1O |
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| InChI Key | FWSVODFZZXOHHK-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 | flavonoids |
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| Subclass | flavans |
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| Direct Parent | flavanonols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids8-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesarylsulfatesbenzene and substituted derivativeschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | 8-hydroxyflavonoidmonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesteretheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivativesflavanonol1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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