PCIDB

KNApSAcK Metabolite C00045248

Metabolite

KNApSAcK Entry

id C00045248
Name Bryonioside G / (+)-Bryonioside G
CAS RN 405281-94-9
Standard InChI InChI=1S/C42H68O13/c1-20(10-14-27(44)39(5,6)51)22-16-17-40(7)26-13-11-23-24(42(26,9)28(45)18-41(22,40)8)12-15-29(38(23,3)4)54-37-35(33(49)31(47)25(19-43)53-37)55-36-34(50)32(48)30(46)21(2)52-36/h11,20-22,24-26,29-37,43,46-51H,10,12-19H2,1-9H3/t20-,21+,22-,24-,25-,26+,29+,30+,31-,32-,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H68O13/c1-20(10-14-27(44)39(5,6)51)22-16-17-40(7)26-13-11-23-24(42(26,9)28(45)18-41(22,40)8)12-15-29(38(23,3)4)54-37-35(33(49)31(47)25(19-43)53-37)55-36-34(50)32(48)30(46)21(2)52-36/h11,20-22,24-26,29-37,43,46-51H,10,12-19H2,1-9H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL472126
By standard InChI Main Layer CHEMBL472126

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