PCIDB

KNApSAcK Metabolite C00032633

Metabolite

KNApSAcK Entry

id C00032633
Name 3-(E)-Coumaroylbetulin-28-yl-ethyl (2R)-2-hydroxysuccinate / (+)-3-(E)-Coumaroylbetulin-28-yl-ethyl (2R)-2-hydroxysuccinate
CAS RN 302944-08-7
Standard InChI InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3/b17-12+/t31-,32+,33+,34-,35+,36-,39+,42-,43+,44+,45+/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H64O8/c1-9-51-38(49)26-33(47)40(50)52-27-45-23-18-31(28(2)3)39(45)32-15-16-35-42(6)21-20-36(53-37(48)17-12-29-10-13-30(46)14-11-29)41(4,5)34(42)19-22-44(35,8)43(32,7)24-25-45/h10-14,17,31-36,39,46-47H,2,9,15-16,18-27H2,1,3-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 78

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
Ebenaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Diospyros maritima 413758 Ebenaceae asterids Viridiplantae