PCIDB

KNApSAcK Metabolite C00031221

Metabolite

KNApSAcK Entry

id C00031221
Name Rotundioside S / (-)-Rotundioside S
CAS RN 925673-64-9
Standard InChI InChI=1S/C48H78O17/c1-21-30(52)33(55)36(58)39(60-21)64-38-35(57)32(54)23(19-49)62-41(38)65-37-34(56)31(53)22(2)61-40(37)63-29-12-13-44(7)24(43(29,5)6)10-14-45(8)25(44)11-15-48-26-16-42(3,4)27(50)18-47(26,20-59-48)28(51)17-46(45,48)9/h11,15,21-41,49-58H,10,12-14,16-20H2,1-9H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46-,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O17/c1-21-30(52)33(55)36(58)39(60-21)64-38-35(57)32(54)23(19-49)62-41(38)65-37-34(56)31(53)22(2)61-40(37)63-29-12-13-44(7)24(43(29,5)6)10-14-45(8)25(44)11-15-48-26-16-42(3,4)27(50)18-47(26,20-59-48)28(51)17-46(45,48)9/h11,15,21-41,49-58H,10,12-14,16-20H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rotundifolium 90446 Apiaceae asterids Viridiplantae