PCIDB

KNApSAcK Metabolite C00031125

Metabolite

KNApSAcK Entry

id C00031125
Name RA III
CAS RN 70840-66-3
Standard InChI InChI=1S/C41H50N6O10/c1-23-36(49)44-30(22-48)40(53)45(3)31(18-25-8-13-28(55-6)14-9-25)38(51)43-24(2)39(52)47(5)33-19-26-10-15-29(16-11-26)57-35-21-27(12-17-34(35)56-7)20-32(37(50)42-23)46(4)41(33)54/h8-17,21,23-24,30-33,48H,18-20,22H2,1-7H3,(H,42,50)(H,43,51)(H,44,49)/t23-,24+,30+,31+,32+,33+/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H50N6O10/c1-23-36(49)44-30(22-48)40(53)45(3)31(18-25-8-13-28(55-6)14-9-25)38(51)43-24(2)39(52)47(5)33-19-26-10-15-29(16-11-26)57-35-21-27(12-17-34(35)56-7)20-32(37(50)42-23)46(4)41(33)54/h8-17,21,23-24,30-33,48H,18-20,22H2,1-7H3,(H,42,50)(H,43,51)(H,44,49)

Cluster

Phytochemical cluster
KCF-S cluster No. 497

Link

ChEMBL

By standard InChI CHEMBL539463
By standard InChI Main Layer CHEMBL539463

KEGG

By LinkDB

CTD

By CAS RN C045633

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

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