PCIDB

KNApSAcK Metabolite C00036145

Metabolite

KNApSAcK Entry

id C00036145
Name Mimengoside A
CAS RN 141896-30-2
Standard InChI InChI=1S/C54H88O21/c1-24-33(58)36(61)39(64)46(69-24)74-43-28(21-56)71-47(40(65)38(43)63)73-42-25(18-26-34(59)37(62)35(60)27(20-55)70-26)45(75-44(67)41(42)66)72-32-10-11-49(4)29(50(32,5)22-57)8-12-51(6)30(49)9-13-54-31-19-48(2,3)14-16-53(31,23-68-54)17-15-52(51,54)7/h9,13,24-47,55-67H,8,10-12,14-23H2,1-7H3/t24-,25?,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,49-,50-,51+,52-,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H88O21/c1-24-33(58)36(61)39(64)46(69-24)74-43-28(21-56)71-47(40(65)38(43)63)73-42-25(18-26-34(59)37(62)35(60)27(20-55)70-26)45(75-44(67)41(42)66)72-32-10-11-49(4)29(50(32,5)22-57)8-12-51(6)30(49)9-13-54-31-19-48(2,3)14-16-53(31,23-68-54)17-15-52(51,54)7/h9,13,24-47,55-67H,8,10-12,14-23H2,1-7H3

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 officinalis Maxim. 714454 Scrophulariaceae asterids Viridiplantae