PCIDB

KNApSAcK Metabolite C00045243

Metabolite

KNApSAcK Entry

id C00045243
Name Bryonioside B / (+)-Bryonioside B
CAS RN 83725-25-1
Standard InChI InChI=1S/C42H70O13/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/h11,20-22,24-27,29-37,43-44,46-51H,10,12-19H2,1-9H3/t20-,21+,22-,24-,25-,26+,27-,29+,30+,31-,32-,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H70O13/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/h11,20-22,24-27,29-37,43-44,46-51H,10,12-19H2,1-9H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL464459
By standard InChI Main Layer CHEMBL464459 CHEMBL1991496

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