PCIDB

KNApSAcK Metabolite C00032694

Metabolite

KNApSAcK Entry

id C00032694
Name Acantrifoside A / (-)-Acantrifoside A
CAS RN 215167-38-7
Standard InChI InChI=1S/C48H78O18/c1-20(2)22-9-14-48(16-15-46(7)23(29(22)48)17-24(50)39-45(6)12-11-28(51)44(4,5)27(45)10-13-47(39,46)8)43(60)66-42-36(58)33(55)31(53)26(64-42)19-61-40-37(59)34(56)38(25(18-49)63-40)65-41-35(57)32(54)30(52)21(3)62-41/h21-42,49-59H,1,9-19H2,2-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O18/c1-20(2)22-9-14-48(16-15-46(7)23(29(22)48)17-24(50)39-45(6)12-11-28(51)44(4,5)27(45)10-13-47(39,46)8)43(60)66-42-36(58)33(55)31(53)26(64-42)19-61-40-37(59)34(56)38(25(18-49)63-40)65-41-35(57)32(54)30(52)21(3)62-41/h21-42,49-59H,1,9-19H2,2-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1269327

KEGG

By LinkDB

CTD

By CAS RN