PCIDB

KNApSAcK Metabolite C00031201

Metabolite

KNApSAcK Entry

id C00031201
Name Rotundifolioside C / (-)-Rotundifolioside C
CAS RN 626253-94-9
Standard InChI InChI=1S/C48H80O17/c1-20-10-15-48(19-50)28(52)17-47(9)24(30(48)21(20)2)16-25(51)40-45(7)13-12-29(44(5,6)27(45)11-14-46(40,47)8)63-42-38(35(57)32(54)23(4)61-42)65-43-39(36(58)33(55)26(18-49)62-43)64-41-37(59)34(56)31(53)22(3)60-41/h16,20-23,25-43,49-59H,10-15,17-19H2,1-9H3/t20-,21+,22+,23-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,45+,46-,47-,48+/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H80O17/c1-20-10-15-48(19-50)28(52)17-47(9)24(30(48)21(20)2)16-25(51)40-45(7)13-12-29(44(5,6)27(45)11-14-46(40,47)8)63-42-38(35(57)32(54)23(4)61-42)65-43-39(36(58)33(55)26(18-49)62-43)64-41-37(59)34(56)31(53)22(3)60-41/h16,20-23,25-43,49-59H,10-15,17-19H2,1-9H3

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