PCIDB

KNApSAcK Metabolite C00031203

Metabolite

KNApSAcK Entry

id C00031203
Name Rotundifolioside E / (-)-Rotundifolioside E
CAS RN 626253-91-6
Standard InChI InChI=1S/C47H76O17/c1-20-21(2)38-46(15-23(20)49)19-59-47(38)14-10-27-43(6)12-11-29(42(4,5)26(43)9-13-44(27,7)45(47,8)16-28(46)51)62-40-36(33(55)30(52)22(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,14,20-41,48-57H,9,11-13,15-19H2,1-8H3/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40?,41-,43-,44+,45-,46-,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-20-21(2)38-46(15-23(20)49)19-59-47(38)14-10-27-43(6)12-11-29(42(4,5)26(43)9-13-44(27,7)45(47,8)16-28(46)51)62-40-36(33(55)30(52)22(3)60-40)64-41-37(34(56)32(54)25(17-48)61-41)63-39-35(57)31(53)24(50)18-58-39/h10,14,20-41,48-57H,9,11-13,15-19H2,1-8H3

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