PCIDB

KNApSAcK Metabolite C00045744

Metabolite

KNApSAcK Entry

id C00045744
Name Certonardoside C / (-)-Certonardoside C
CAS RN 476437-76-0
Standard InChI InChI=1S/C39H66O16S/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46/h20-36,40-46H,1,7-18H2,2-6H3,(H,47,48,49)/t20-,21?,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39+/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H66O16S/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46/h20-36,40-46H,1,7-18H2,2-6H3,(H,47,48,49)

Cluster

Phytochemical cluster
KCF-S cluster No. 182

Link

ChEMBL

By standard InChI CHEMBL1208237
By standard InChI Main Layer CHEMBL1208237

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Ophidiasteridae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Certonardoa semiregularis 60563 Ophidiasteridae Metazoa