PCIDB

KNApSAcK Metabolite C00004959

Metabolite

KNApSAcK Entry

id C00004959
Name Quercetin 3,7-di-O-sulfate
CAS RN 106533-85-1
Standard InChI InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
Standard InChI (Main Layer) InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 51

Link

ChEMBL

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KEGG

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CTD

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