PCIDB

KNApSAcK Metabolite C00032162

Metabolite

KNApSAcK Entry

id C00032162
Name Siphonol E / (-)-Siphonol E
CAS RN 508172-13-2
Standard InChI InChI=1S/C39H44O14/c1-21(42)49-28-17-27-36(4,5)31(51-23(3)44)29(50-22(2)43)32(53-34(46)25-15-11-8-12-16-25)38(27,20-41)30-26(52-33(45)24-13-9-7-10-14-24)18-37(6,19-40)35(47)39(28,30)48/h7-16,19,26-32,41,48H,17-18,20H2,1-6H3/t26-,27+,28-,29+,30-,31-,32+,37-,38+,39+/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H44O14/c1-21(42)49-28-17-27-36(4,5)31(51-23(3)44)29(50-22(2)43)32(53-34(46)25-15-11-8-12-16-25)38(27,20-41)30-26(52-33(45)24-13-9-7-10-14-24)18-37(6,19-40)35(47)39(28,30)48/h7-16,19,26-32,41,48H,17-18,20H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 160

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL117118

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
Orthosiphon stamineus 260636 Lamiaceae asterids Viridiplantae