Metabolite

KNApSAcK Entry

id C00042591
Name Holothurin B / (-)-Holothurin B
CAS RN 11052-32-7
Standard InChI InChI=1S/C41H64O17S/c1-19-27(43)29(45)30(46)32(53-19)55-31-28(44)22(58-59(49,50)51)18-52-33(31)54-25-12-14-37(6)21-17-24(42)41-34(47)57-39(8,26-11-13-35(2,3)56-26)40(41,48)16-15-38(41,7)20(21)9-10-23(37)36(25,4)5/h17,19-20,22-33,42-46,48H,9-16,18H2,1-8H3,(H,49,50,51)
Standard InChI (Main Layer) InChI=1S/C41H64O17S/c1-19-27(43)29(45)30(46)32(53-19)55-31-28(44)22(58-59(49,50)51)18-52-33(31)54-25-12-14-37(6)21-17-24(42)41-34(47)57-39(8,26-11-13-35(2,3)56-26)40(41,48)16-15-38(41,7)20(21)9-10-23(37)36(25,4)5/h17,19-20,22-33,42-46,48H,9-16,18H2,1-8H3,(H,49,50,51)

Cluster

Phytochemical cluster
KCF-S cluster No. 373

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1206213

KEGG

By LinkDB

CTD

By CAS RN C034724