PCIDB

KNApSAcK Metabolite C00042594

Metabolite

KNApSAcK Entry

id C00042594
Name Holothurin B4 / (-)-Holothurin B4
CAS RN 852469-38-6
Standard InChI InChI=1S/C41H64O17S/c1-20-27(43)29(45)30(46)32(54-20)56-31-28(44)23(58-59(50,51)52)19-53-33(31)55-26-12-15-37(6)22-18-25(42)41-34(47)57-39(8,14-9-13-35(2,3)48)40(41,49)17-16-38(41,7)21(22)10-11-24(37)36(26,4)5/h9,13,18,20-21,23-33,42-46,48-49H,10-12,14-17,19H2,1-8H3,(H,50,51,52)/b13-9+/t20-,21-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,37-,38+,39+,40+,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H64O17S/c1-20-27(43)29(45)30(46)32(54-20)56-31-28(44)23(58-59(50,51)52)19-53-33(31)55-26-12-15-37(6)22-18-25(42)41-34(47)57-39(8,14-9-13-35(2,3)48)40(41,49)17-16-38(41,7)21(22)10-11-24(37)36(26,4)5/h9,13,18,20-21,23-33,42-46,48-49H,10-12,14-17,19H2,1-8H3,(H,50,51,52)

Cluster

Phytochemical cluster
KCF-S cluster No. 373

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Holothuriidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Holothuria polii 1072197 Holothuriidae Metazoa