PCIDB

KNApSAcK Metabolite C00033711

Metabolite

KNApSAcK Entry

id C00033711
Name Cauloside G / (+)-Cauloside G
CAS RN 60454-69-5
Standard InChI InChI=1S/C59H96O27/c1-24-34(64)38(68)42(72)49(79-24)84-46-29(20-61)81-48(45(75)41(46)71)78-22-30-37(67)40(70)44(74)51(82-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)83-52-47(35(65)27(63)21-77-52)85-50-43(73)39(69)36(66)28(19-60)80-50/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O27/c1-24-34(64)38(68)42(72)49(79-24)84-46-29(20-61)81-48(45(75)41(46)71)78-22-30-37(67)40(70)44(74)51(82-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-62)31(55)10-13-58(32,7)57(25,6)15-17-59)83-52-47(35(65)27(63)21-77-52)85-50-43(73)39(69)36(66)28(19-60)80-50/h8,24,26-52,60-75H,9-23H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL550487

KEGG

By LinkDB

CTD

By CAS RN