PCIDB

KNApSAcK Metabolite C00036792

Metabolite

KNApSAcK Entry

id C00036792
Name Barbatoside B / (-)-Barbatoside B / Barbatoside B(Campanula barbata)
CAS RN 342643-27-0
Standard InChI InChI=1S/C38H48O20/c1-19(41)57-38(2,58-37-35(32(48)30(46)26(18-40)54-37)55-27(43)12-9-20-7-10-22(50-3)11-8-20)16-28(44)52-13-5-6-21-14-23(42)34(24(15-21)51-4)56-36-33(49)31(47)29(45)25(17-39)53-36/h5-12,14-15,25-26,29-33,35-37,39-40,42,45-49H,13,16-18H2,1-4H3/b6-5+,12-9+/t25-,26-,29-,30-,31+,32+,33-,35-,36?,37?,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H48O20/c1-19(41)57-38(2,58-37-35(32(48)30(46)26(18-40)54-37)55-27(43)12-9-20-7-10-22(50-3)11-8-20)16-28(44)52-13-5-6-21-14-23(42)34(24(15-21)51-4)56-36-33(49)31(47)29(45)25(17-39)53-36/h5-12,14-15,25-26,29-33,35-37,39-40,42,45-49H,13,16-18H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 418

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN