| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:05 UTC |
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| Update Date | 2025-03-21 18:29:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076735 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C15H10O11S |
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| Molecular Mass | 397.9944 |
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| SMILES | O=c1c(OS(=O)(=O)O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 |
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| InChI Key | IQIPQGBPVBTBOY-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 | sulfated flavonoids |
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| Direct Parent | 3-sulfated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsarylsulfatesbenzene and substituted derivativeschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativespyrogallols and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativespyrogallol derivativebenzenetriol3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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