PCIDB

KNApSAcK Metabolite C00031215

Metabolite

KNApSAcK Entry

id C00031215
Name Rotundioside M / (-)-Rotundioside M
CAS RN 925673-69-4
Standard InChI InChI=1S/C48H78O17/c1-20-28(52)31(55)34(58)40(59-20)63-36-33(57)30(54)25(18-49)61-42(36)64-35-32(56)29(53)21(2)60-41(35)62-27-11-12-45(7)26(44(27,5)6)10-13-46(8)37(45)24(51)16-22-23-17-43(3,4)14-15-48(23,19-50)39-38(65-39)47(22,46)9/h16,20-21,23-42,49-58H,10-15,17-19H2,1-9H3/t20-,21+,23-,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,45-,46+,47-,48+/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O17/c1-20-28(52)31(55)34(58)40(59-20)63-36-33(57)30(54)25(18-49)61-42(36)64-35-32(56)29(53)21(2)60-41(35)62-27-11-12-45(7)26(44(27,5)6)10-13-46(8)37(45)24(51)16-22-23-17-43(3,4)14-15-48(23,19-50)39-38(65-39)47(22,46)9/h16,20-21,23-42,49-58H,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