PCIDB

KNApSAcK Metabolite C00005421

Metabolite

KNApSAcK Entry

id C00005421
Name Quercetin 3-xyloside-7-glucoside
CAS RN 35972-56-1
Standard InChI InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15?,17?,18-,20+,21?,22?,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
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KEGG

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CTD

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