PCIDB

KNApSAcK Metabolite C00031222

Metabolite

KNApSAcK Entry

id C00031222
Name Rotundioside T / (+)-Rotundioside T
CAS RN 925673-65-0
Standard InChI InChI=1S/C47H76O17/c1-22-30(52)33(55)36(64-40-37(34(56)32(54)24(18-48)61-40)63-38-35(57)31(53)23(50)19-58-38)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3/t22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,42+,43+,44-,45+,46-,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-22-30(52)33(55)36(64-40-37(34(56)32(54)24(18-48)61-40)63-38-35(57)31(53)23(50)19-58-38)39(60-22)62-29-10-11-42(4)25(43(29,5)20-49)8-12-44(6)26(42)9-13-47-27-16-41(2,3)14-15-46(27,21-59-47)28(51)17-45(44,47)7/h9,13,22-40,48-57H,8,10-12,14-21H2,1-7H3

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