PCIDB

KNApSAcK Metabolite C00006745

Metabolite

KNApSAcK Entry

id C00006745
Name Malvidin 3-rutinoside-5-glucoside
CAS RN 68736-45-8
Standard InChI InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)/p+1/t11?,20?,21?,22-,24+,25+,26-,27-,28?,29?,30?,31?,33+,34+,35+/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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