PCIDB

KNApSAcK Metabolite C00039115

Metabolite

KNApSAcK Entry

id C00039115
Name Epibreynin D / (-)-Epibreynin D
CAS RN 942228-19-5
Standard InChI InChI=1S/C40H56O23S/c1-13-11-55-39(9-19(13)58-34(51)16-4-6-17(42)7-5-16)38(52)40(53)22(43)8-18-21(12-64(54)32(18)33(40)63-39)60-37-31(27(48)24(45)15(3)57-37)62-36-29(50)30(25(46)20(10-41)59-36)61-35-28(49)26(47)23(44)14(2)56-35/h4-7,13-15,18-33,35-37,41-50,53H,8-12H2,1-3H3/t13-,14+,15-,18-,19+,20-,21+,22+,23+,24-,25-,26-,27+,28-,29-,30+,31-,32+,33-,35+,36+,37+,39+,40-,64?/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H56O23S/c1-13-11-55-39(9-19(13)58-34(51)16-4-6-17(42)7-5-16)38(52)40(53)22(43)8-18-21(12-64(54)32(18)33(40)63-39)60-37-31(27(48)24(45)15(3)57-37)62-36-29(50)30(25(46)20(10-41)59-36)61-35-28(49)26(47)23(44)14(2)56-35/h4-7,13-15,18-33,35-37,41-50,53H,8-12H2,1-3H3

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