PCIDB

KNApSAcK Metabolite C00039119

Metabolite

KNApSAcK Entry

id C00039119
Name Epibreynin H / (-)-Epibreynin H
CAS RN 942228-24-2
Standard InChI InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3/t14-,15+,16+,17-,19-,22+,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+,36-,37-,38+,39-,41+,42+,43+,44+,46+,47-,76?/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 963

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Phyllanthaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Breynia fruticosa 296042 Phyllanthaceae rosids Viridiplantae