PCIDB

KNApSAcK Metabolite C00003535

Metabolite

KNApSAcK Entry

id C00003535
Name Ginsenoside R1 / Notoginsenoside R1
CAS RN 80418-24-2
Standard InChI InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26?,27?,28+,29-,30-,31-,32+,33+,34-,35?,36?,37?,38?,39-,40-,41-,42+,44+,45+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL507115

KEGG

By LinkDB C08961

CTD

By CAS RN C072936