PCIDB

KNApSAcK Metabolite C00031136

Metabolite

KNApSAcK Entry

id C00031136
Name RA XII
CAS RN 143343-98-0
Standard InChI InChI=1S/C46H58N6O14/c1-23-40(57)48-24(2)43(60)50(4)31(18-26-8-13-29(63-7)14-9-26)42(59)49-25(3)44(61)52(6)33-19-27-10-15-30(16-11-27)64-35-21-28(20-32(41(58)47-23)51(5)45(33)62)12-17-34(35)65-46-39(56)38(55)37(54)36(22-53)66-46/h8-17,21,23-25,31-33,36-39,46,53-56H,18-20,22H2,1-7H3,(H,47,58)(H,48,57)(H,49,59)/t23-,24+,25+,31+,32+,33+,36-,37-,38+,39-,46-/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H58N6O14/c1-23-40(57)48-24(2)43(60)50(4)31(18-26-8-13-29(63-7)14-9-26)42(59)49-25(3)44(61)52(6)33-19-27-10-15-30(16-11-27)64-35-21-28(20-32(41(58)47-23)51(5)45(33)62)12-17-34(35)65-46-39(56)38(55)37(54)36(22-53)66-46/h8-17,21,23-25,31-33,36-39,46,53-56H,18-20,22H2,1-7H3,(H,47,58)(H,48,57)(H,49,59)

Cluster

Phytochemical cluster
KCF-S cluster No. 497

Link

ChEMBL

By standard InChI CHEMBL1288990
By standard InChI Main Layer CHEMBL1288990

KEGG

By LinkDB

CTD

By CAS RN C081563

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Rubiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubia akane 25473 Rubiaceae asterids Viridiplantae
Rubia yunnanensis 25473 Rubiaceae asterids Viridiplantae