PCIDB

KNApSAcK Metabolite C00031200

Metabolite

KNApSAcK Entry

id C00031200
Name Rotundifolioside B / (-)-Rotundifolioside B
CAS RN 626253-93-8
Standard InChI InChI=1S/C47H78O17/c1-20-9-14-47(19-49)28(52)16-46(8)23(30(47)21(20)2)15-24(50)39-44(6)12-11-29(43(4,5)27(44)10-13-45(39,46)7)62-41-37(34(56)31(53)22(3)60-41)64-42-38(35(57)33(55)26(17-48)61-42)63-40-36(58)32(54)25(51)18-59-40/h15,20-22,24-42,48-58H,9-14,16-19H2,1-8H3/t20-,21+,22-,24-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45-,46-,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H78O17/c1-20-9-14-47(19-49)28(52)16-46(8)23(30(47)21(20)2)15-24(50)39-44(6)12-11-29(43(4,5)27(44)10-13-45(39,46)7)62-41-37(34(56)31(53)22(3)60-41)64-42-38(35(57)33(55)26(17-48)61-42)63-40-36(58)32(54)25(51)18-59-40/h15,20-22,24-42,48-58H,9-14,16-19H2,1-8H3

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