PCIDB

KNApSAcK Metabolite C00006661

Metabolite

KNApSAcK Entry

id C00006661
Name Cyanidin 3-neohesperidoside / Cyanidin 3-(2-rhamnosylglucoside)
CAS RN 54947-80-7
Standard InChI InChI=1S/C27H30O15/c1-9-19(33)21(35)23(37)26(38-9)42-25-22(36)20(34)18(8-28)41-27(25)40-17-7-12-14(31)5-11(29)6-16(12)39-24(17)10-2-3-13(30)15(32)4-10/h2-7,9,18-23,25-28,33-37H,8H2,1H3,(H3-,29,30,31,32)/p+1/t9?,18?,19-,20+,21?,22?,23-,25?,26-,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O15/c1-9-19(33)21(35)23(37)26(38-9)42-25-22(36)20(34)18(8-28)41-27(25)40-17-7-12-14(31)5-11(29)6-16(12)39-24(17)10-2-3-13(30)15(32)4-10/h2-7,9,18-23,25-28,33-37H,8H2,1H3,(H3-,29,30,31,32)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN