PCIDB

KNApSAcK Metabolite C00031224

Metabolite

KNApSAcK Entry

id C00031224
Name Rotundioside V / (-)-Rotundioside V
CAS RN 925673-73-0
Standard InChI InChI=1S/C47H76O17/c1-22-31(53)34(56)37(64-41-38(35(57)33(55)26(18-48)61-41)63-39-36(58)32(54)25(51)19-59-39)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-22-31(53)34(56)37(64-41-38(35(57)33(55)26(18-48)61-41)63-39-36(58)32(54)25(51)19-59-39)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3

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