PCIDB

KNApSAcK Metabolite C00045110

Metabolite

KNApSAcK Entry

id C00045110
Name Tomentoside A / (-)-Tomentoside A
CAS RN 503301-94-8
Standard InChI InChI=1S/C47H76O17/c1-20-10-16-47(43(58)64-42-37(56)34(53)32(51)26(19-49)61-42)17-11-24-23(30(47)21(20)2)8-9-28-45(24,6)14-12-27-44(4,5)29(13-15-46(27,28)7)62-40-38(57)35(54)39(22(3)59-40)63-41-36(55)33(52)31(50)25(18-48)60-41/h20-22,25-42,48-57H,8-19H2,1-7H3/t20-,21+,22-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,45+,46+,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-20-10-16-47(43(58)64-42-37(56)34(53)32(51)26(19-49)61-42)17-11-24-23(30(47)21(20)2)8-9-28-45(24,6)14-12-27-44(4,5)29(13-15-46(27,28)7)62-40-38(57)35(54)39(22(3)59-40)63-41-36(55)33(52)31(50)25(18-48)60-41/h20-22,25-42,48-57H,8-19H2,1-7H3

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Uncaria tomentosa 128375 Rubiaceae asterids Viridiplantae