PCIDB

KNApSAcK Metabolite C00045244

Metabolite

KNApSAcK Entry

id C00045244
Name Bryonioside C / (+)-Bryonioside C
CAS RN 405281-90-5
Standard InChI InChI=1S/C44H72O14/c1-21(11-15-29(47)41(6,7)53)24-17-18-42(8)28-14-12-25-26(44(28,10)30(48)19-43(24,42)9)13-16-31(40(25,4)5)57-39-37(33(50)32(49)27(20-45)56-39)58-38-35(52)34(51)36(22(2)54-38)55-23(3)46/h12,21-22,24,26-29,31-39,45,47,49-53H,11,13-20H2,1-10H3/t21-,22+,24-,26-,27-,28+,29-,31+,32-,33+,34+,35-,36+,37-,38+,39+,42+,43-,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H72O14/c1-21(11-15-29(47)41(6,7)53)24-17-18-42(8)28-14-12-25-26(44(28,10)30(48)19-43(24,42)9)13-16-31(40(25,4)5)57-39-37(33(50)32(49)27(20-45)56-39)58-38-35(52)34(51)36(22(2)54-38)55-23(3)46/h12,21-22,24,26-29,31-39,45,47,49-53H,11,13-20H2,1-10H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 675

Link

ChEMBL

By standard InChI CHEMBL454236
By standard InChI Main Layer CHEMBL454236

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Cucurbitaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bryonia dioica 3652 Cucurbitaceae rosids Viridiplantae