PCIDB

KNApSAcK Metabolite C00036921

Metabolite

KNApSAcK Entry

id C00036921
Name Coelobillardin
CAS RN 452962-76-4
Standard InChI InChI=1S/C52H64O26/c1-69-45(65)25-15-73-49(77-51-43(63)41(61)39(59)31(13-53)75-51)35-23(25)11-29(57)27(35)17-71-47(67)37-33(19-3-7-21(55)8-4-19)38(34(37)20-5-9-22(56)10-6-20)48(68)72-18-28-30(58)12-24-26(46(66)70-2)16-74-50(36(24)28)78-52-44(64)42(62)40(60)32(14-54)76-52/h3-10,15-16,23-24,27-44,49-64H,11-14,17-18H2,1-2H3/t23-,24-,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,49+,50+,51+,52+/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H64O26/c1-69-45(65)25-15-73-49(77-51-43(63)41(61)39(59)31(13-53)75-51)35-23(25)11-29(57)27(35)17-71-47(67)37-33(19-3-7-21(55)8-4-19)38(34(37)20-5-9-22(56)10-6-20)48(68)72-18-28-30(58)12-24-26(46(66)70-2)16-74-50(36(24)28)78-52-44(64)42(62)40(60)32(14-54)76-52/h3-10,15-16,23-24,27-44,49-64H,11-14,17-18H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 7677

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Coelospermum billardieri 59631 Rubiaceae asterids Viridiplantae