PCIDB

KNApSAcK Metabolite C00031213

Metabolite

KNApSAcK Entry

id C00031213
Name Rotundioside K / (-)-Rotundioside K
CAS RN 925673-67-2
Standard InChI InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)50)42(60)69-41-38(59)35(56)32(53)25(68-41)20-65-40-37(58)34(55)31(52)24(67-40)19-64-39-36(57)33(54)30(51)23(18-49)66-39/h8-9,21-41,49-59H,10-20H2,1-7H3,(H,61,62,63)/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41+,45+,46-,47-,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)50)42(60)69-41-38(59)35(56)32(53)25(68-41)20-65-40-37(58)34(55)31(52)24(67-40)19-64-39-36(57)33(54)30(51)23(18-49)66-39/h8-9,21-41,49-59H,10-20H2,1-7H3,(H,61,62,63)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

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