PCIDB

KNApSAcK Metabolite C00028984

Metabolite

KNApSAcK Entry

id C00028984
Name Segetalin E
CAS RN 177602-12-9
Standard InChI InChI=1S/C43H56N8O8/c1-5-25(4)37-41(57)47-32(21-27-22-44-30-11-7-6-10-29(27)30)42(58)50-18-8-12-33(50)39(55)45-23-35(53)46-31(20-26-14-16-28(52)17-15-26)38(54)48-36(24(2)3)43(59)51-19-9-13-34(51)40(56)49-37/h6-7,10-11,14-17,22,24-25,31-34,36-37,44,52H,5,8-9,12-13,18-21,23H2,1-4H3,(H,45,55)(H,46,53)(H,47,57)(H,48,54)(H,49,56)/t25?,31-,32-,33-,34-,36-,37-/m0/s1
Standard InChI (Main Layer) InChI=1S/C43H56N8O8/c1-5-25(4)37-41(57)47-32(21-27-22-44-30-11-7-6-10-29(27)30)42(58)50-18-8-12-33(50)39(55)45-23-35(53)46-31(20-26-14-16-28(52)17-15-26)38(54)48-36(24(2)3)43(59)51-19-9-13-34(51)40(56)49-37/h6-7,10-11,14-17,22,24-25,31-34,36-37,44,52H,5,8-9,12-13,18-21,23H2,1-4H3,(H,45,55)(H,46,53)(H,47,57)(H,48,54)(H,49,56)

Cluster

Phytochemical cluster
KCF-S cluster No. 498

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
Caryophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vaccaria segetalis 39387 Caryophyllaceae eudicotyledons Viridiplantae