PCIDB

KNApSAcK Metabolite C00039116

Metabolite

KNApSAcK Entry

id C00039116
Name Epibreynin E / (+)-Epibreynin E
CAS RN 942228-20-8
Standard InChI InChI=1S/C34H46O19S/c1-12-10-47-33(8-17(12)49-29(43)14-3-5-15(36)6-4-14)32(44)34(45)20(37)7-16-19(11-54(46)27(16)28(34)53-33)51-31-26(24(41)21(38)13(2)48-31)52-30-25(42)23(40)22(39)18(9-35)50-30/h3-6,12-13,16-28,30-31,35-42,45H,7-11H2,1-2H3/t12-,13-,16-,17+,18-,19+,20+,21-,22-,23+,24+,25-,26-,27+,28-,30+,31+,33+,34-,54?/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H46O19S/c1-12-10-47-33(8-17(12)49-29(43)14-3-5-15(36)6-4-14)32(44)34(45)20(37)7-16-19(11-54(46)27(16)28(34)53-33)51-31-26(24(41)21(38)13(2)48-31)52-30-25(42)23(40)22(39)18(9-35)50-30/h3-6,12-13,16-28,30-31,35-42,45H,7-11H2,1-2H3

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