PCIDB

KNApSAcK Metabolite C00049349

Metabolite

KNApSAcK Entry

id C00049349
Name 3-(E)-Coumaroylbetulinaldehyde / (+)-3-(E)-Coumaroylbetulinaldehyde
CAS RN 221110-12-9
Standard InChI InChI=1S/C39H54O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,24,28-32,34,41H,1,13-14,16-23H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H54O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,24,28-32,34,41H,1,13-14,16-23H2,2-7H3

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