PCIDB

KNApSAcK Metabolite C00006695

Metabolite

KNApSAcK Entry

id C00006695
Name 6-Hydroxycyanidin 3-rutinoside
CAS RN 99124-25-1
Standard InChI InChI=1S/C27H30O16/c1-8-17(31)21(35)23(37)26(40-8)39-7-16-20(34)22(36)24(38)27(43-16)42-15-5-10-14(6-13(30)19(33)18(10)32)41-25(15)9-2-3-11(28)12(29)4-9/h2-6,8,16-17,20-24,26-27,31,34-38H,7H2,1H3,(H4-,28,29,30,32,33)/p+1/t8?,16?,17-,20+,21-,22?,23?,24?,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O16/c1-8-17(31)21(35)23(37)26(40-8)39-7-16-20(34)22(36)24(38)27(43-16)42-15-5-10-14(6-13(30)19(33)18(10)32)41-25(15)9-2-3-11(28)12(29)4-9/h2-6,8,16-17,20-24,26-27,31,34-38H,7H2,1H3,(H4-,28,29,30,32,33)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN