PCIDB

KNApSAcK Metabolite C00006734

Metabolite

KNApSAcK Entry

id C00006734
Name Primulin / Malvidin 3-O-beta-D-galactopyranoside
CAS RN 30113-37-2
Standard InChI InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17?,19-,20?,21?,23+/m0/s1
Standard InChI (Main Layer) InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL403236

KEGG

By LinkDB

CTD

By CAS RN C458399