PCIDB

KNApSAcK Metabolite C00037838

Metabolite

KNApSAcK Entry

id C00037838
Name Spergulin B / (-)-Spergulin B
CAS RN 403740-07-8
Standard InChI InChI=1S/C39H64O11/c1-18-9-12-37(6)26(18)21(41)16-39(8)32(37)20(40)15-24-36(5)13-11-25(35(3,4)23(36)10-14-38(24,39)7)49-34-31(28(44)22(42)17-47-34)50-33-30(46)29(45)27(43)19(2)48-33/h19-34,40-46H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33-,34-,36-,37-,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H64O11/c1-18-9-12-37(6)26(18)21(41)16-39(8)32(37)20(40)15-24-36(5)13-11-25(35(3,4)23(36)10-14-38(24,39)7)49-34-31(28(44)22(42)17-47-34)50-33-30(46)29(45)27(43)19(2)48-33/h19-34,40-46H,1,9-17H2,2-8H3

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