PCIDB

KNApSAcK Metabolite C00044667

Metabolite

KNApSAcK Entry

id C00044667
Name Cratoxyarborequinone B
CAS RN 410095-69-1
Standard InChI InChI=1S/C49H54O9/c1-27(2)14-12-16-29(5)20-21-58-39-26-37(51)44(45(52)32-18-10-9-11-19-32)49(56)42(39)33(22-30(6)17-13-15-28(3)4)41-38(57-8)25-35-43(48(41)55)47(54)40-34(46(35)53)23-31(7)24-36(40)50/h9-11,14-15,18-20,23-26,30,33,50-51,55-56H,12-13,16-17,21-22H2,1-8H3/b29-20+
Standard InChI (Main Layer) InChI=1S/C49H54O9/c1-27(2)14-12-16-29(5)20-21-58-39-26-37(51)44(45(52)32-18-10-9-11-19-32)49(56)42(39)33(22-30(6)17-13-15-28(3)4)41-38(57-8)25-35-43(48(41)55)47(54)40-34(46(35)53)23-31(7)24-36(40)50/h9-11,14-15,18-20,23-26,30,33,50-51,55-56H,12-13,16-17,21-22H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4885

Link

ChEMBL

By standard InChI CHEMBL498931
By standard InChI Main Layer CHEMBL498931

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Hypericaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cratoxylum sumatranum 198760 Hypericaceae rosids Viridiplantae