PCIDB

KNApSAcK Metabolite C00040145

Metabolite

KNApSAcK Entry

id C00040145
Name Renieroside A1 / (+)-Renieroside A1
CAS RN 952687-41-1
Standard InChI InChI=1S/C52H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h13,15-16,28,30,32,38,40,44-50,52,54-59H,3-12,14,17-27,29,31,33-37,39,41-43H2,1-2H3,(H,53,60)/b15-13-,28-16+,32-30+,40-38+/t44-,45+,46+,47+,48+,49-,50+,52+/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h13,15-16,28,30,32,38,40,44-50,52,54-59H,3-12,14,17-27,29,31,33-37,39,41-43H2,1-2H3,(H,53,60)

Cluster

Phytochemical cluster
KCF-S cluster No. 80

Link

ChEMBL

By standard InChI CHEMBL253325
By standard InChI Main Layer CHEMBL253325

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Chalinidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Haliclona sp. 34490 Chalinidae Metazoa