PCIDB

KNApSAcK Metabolite C00040066

Metabolite

KNApSAcK Entry

id C00040066
Name Premnaodoroside E / (-)-Premnaodoroside E
CAS RN 260803-63-2
Standard InChI InChI=1S/C42H62O20/c1-17(13-55-37(53)23-15-57-39(29-19(3)25(45)9-21(23)29)61-41-35(51)33(49)31(47)27(11-43)59-41)7-5-6-8-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)10-22(24)30)62-42-36(52)34(50)32(48)28(12-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3/t17?,18?,21-,22-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,39+,40+,41+,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H62O20/c1-17(13-55-37(53)23-15-57-39(29-19(3)25(45)9-21(23)29)61-41-35(51)33(49)31(47)27(11-43)59-41)7-5-6-8-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)10-22(24)30)62-42-36(52)34(50)32(48)28(12-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 284

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Premna subscandens 41393 Lamiaceae asterids Viridiplantae