PCIDB

KNApSAcK Metabolite C00035934

Metabolite

KNApSAcK Entry

id C00035934
Name 3-(E)-Caffeoylbetulin / 3-O-(E)-Caffeoylbetulin
CAS RN 89130-86-9
Standard InChI InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 78

Link

ChEMBL

By standard InChI CHEMBL502663
By standard InChI Main Layer CHEMBL502663

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Chaenomeles sinensis KOEHNE 36603 Rosaceae rosids Viridiplantae