PCIDB

KNApSAcK Metabolite C00032631

Metabolite

KNApSAcK Entry

id C00032631
Name 3-(E)-Coumaroylbetulin-28-yl ethyl nonanedioate / (+)-3-(E)-Coumaroylbetulin-28-yl ethyl nonanedioate
CAS RN 302944-02-1
Standard InChI InChI=1S/C50H74O7/c1-9-55-42(52)15-13-11-10-12-14-16-43(53)56-33-50-30-25-37(34(2)3)45(50)38-22-23-40-47(6)28-27-41(57-44(54)24-19-35-17-20-36(51)21-18-35)46(4,5)39(47)26-29-49(40,8)48(38,7)31-32-50/h17-21,24,37-41,45,51H,2,9-16,22-23,25-33H2,1,3-8H3/b24-19+/t37-,38+,39-,40+,41-,45+,47-,48+,49+,50+/m0/s1
Standard InChI (Main Layer) InChI=1S/C50H74O7/c1-9-55-42(52)15-13-11-10-12-14-16-43(53)56-33-50-30-25-37(34(2)3)45(50)38-22-23-40-47(6)28-27-41(57-44(54)24-19-35-17-20-36(51)21-18-35)46(4,5)39(47)26-29-49(40,8)48(38,7)31-32-50/h17-21,24,37-41,45,51H,2,9-16,22-23,25-33H2,1,3-8H3

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