PCIDB

KNApSAcK Metabolite C00036073

Metabolite

KNApSAcK Entry

id C00036073
Name Buddlejoside A13
CAS RN 140187-18-4
Standard InChI InChI=1S/C46H56O24/c1-19-38(66-29(52)12-6-20-3-8-22(60-2)9-4-20)40(68-43-35(57)34(56)32(54)27(65-43)17-62-28(51)11-7-21-5-10-24(49)25(50)15-21)37(59)45(63-19)67-39-23-13-14-61-42(30(23)46(18-48)41(39)70-46)69-44-36(58)33(55)31(53)26(16-47)64-44/h3-15,19,23,26-27,30-45,47-50,53-59H,16-18H2,1-2H3/b11-7+,12-6+
Standard InChI (Main Layer) InChI=1S/C46H56O24/c1-19-38(66-29(52)12-6-20-3-8-22(60-2)9-4-20)40(68-43-35(57)34(56)32(54)27(65-43)17-62-28(51)11-7-21-5-10-24(49)25(50)15-21)37(59)45(63-19)67-39-23-13-14-61-42(30(23)46(18-48)41(39)70-46)69-44-36(58)33(55)31(53)26(16-47)64-44/h3-15,19,23,26-27,30-45,47-50,53-59H,16-18H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 189

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 Hemsl. 26473 Scrophulariaceae asterids Viridiplantae