PCIDB

KNApSAcK Metabolite C00031223

Metabolite

KNApSAcK Entry

id C00031223
Name Rotundioside U
CAS RN 925673-72-9
Standard InChI InChI=1S/C48H80O18/c1-22-31(54)34(57)37(66-42-38(35(58)33(56)27(18-49)63-42)65-40-36(59)32(55)25(52)19-61-40)41(62-22)64-30-10-11-44(4)28(45(30,5)20-50)9-12-46(6)39(44)26(60-8)15-23-24-16-43(2,3)13-14-48(24,21-51)29(53)17-47(23,46)7/h15,22,24-42,49-59H,9-14,16-21H2,1-8H3/t22-,24+,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H80O18/c1-22-31(54)34(57)37(66-42-38(35(58)33(56)27(18-49)63-42)65-40-36(59)32(55)25(52)19-61-40)41(62-22)64-30-10-11-44(4)28(45(30,5)20-50)9-12-46(6)39(44)26(60-8)15-23-24-16-43(2,3)13-14-48(24,21-51)29(53)17-47(23,46)7/h15,22,24-42,49-59H,9-14,16-21H2,1-8H3

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