PCIDB

KNApSAcK Metabolite C00036066

Metabolite

KNApSAcK Entry

id C00036066
Name Buddlejasaponin II
CAS RN 139501-47-6
Standard InChI InChI=1S/C53H86O22/c1-23-32(59)41(74-45-39(66)36(63)40(26(19-55)71-45)73-43-37(64)33(60)24(57)20-67-43)42(75-44-38(65)35(62)34(61)25(18-54)70-44)46(69-23)72-31-10-11-48(4)27(49(31,5)21-56)8-12-50(6)28(48)9-13-53-29-16-47(2,3)14-15-52(29,22-68-53)30(58)17-51(50,53)7/h9,13,23-46,54-66H,8,10-12,14-22H2,1-7H3
Standard InChI (Main Layer) InChI=1S/C53H86O22/c1-23-32(59)41(74-45-39(66)36(63)40(26(19-55)71-45)73-43-37(64)33(60)24(57)20-67-43)42(75-44-38(65)35(62)34(61)25(18-54)70-44)46(69-23)72-31-10-11-48(4)27(49(31,5)21-56)8-12-50(6)28(48)9-13-53-29-16-47(2,3)14-15-52(29,22-68-53)30(58)17-51(50,53)7/h9,13,23-46,54-66H,8,10-12,14-22H2,1-7H3

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