PCIDB

KNApSAcK Metabolite C00037835

Metabolite

KNApSAcK Entry

id C00037835
Name Spergulacin / (-)-Spergulacin
CAS RN 104720-12-9
Standard InChI InChI=1S/C41H68O12/c1-19-27(46)28(47)29(48)35(51-19)53-31-23(45)18-50-34(30(31)49)52-26-11-12-38(6)24(36(26,3)4)10-13-40(8)25(38)16-21(43)33-39(7)15-14-37(5,20(2)42)32(39)22(44)17-41(33,40)9/h19,21-35,43-49H,10-18H2,1-9H3/t19-,21+,22-,23+,24-,25+,26-,27-,28+,29+,30+,31-,32-,33+,34?,35-,37-,38-,39-,40+,41+/m0/s1
Standard InChI (Main Layer) InChI=1S/C41H68O12/c1-19-27(46)28(47)29(48)35(51-19)53-31-23(45)18-50-34(30(31)49)52-26-11-12-38(6)24(36(26,3)4)10-13-40(8)25(38)16-21(43)33-39(7)15-14-37(5,20(2)42)32(39)22(44)17-41(33,40)9/h19,21-35,43-49H,10-18H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 32

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Molluginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Mollugo spergula 3591 Molluginaceae eudicotyledons Viridiplantae