PCIDB

KNApSAcK Metabolite C00036067

Metabolite

KNApSAcK Entry

id C00036067
Name Buddlejasaponin III
CAS RN 139523-29-8
Standard InChI InChI=1S/C47H76O17/c1-22-30(52)37(64-39-34(56)32(54)36(24(18-48)61-39)63-38-33(55)31(53)23(50)19-58-38)35(57)40(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
Standard InChI (Main Layer) InChI=1S/C47H76O17/c1-22-30(52)37(64-39-34(56)32(54)36(24(18-48)61-39)63-38-33(55)31(53)23(50)19-58-38)35(57)40(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
Scrophulariaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Buddleja japonica 26473 Scrophulariaceae asterids Viridiplantae