PCIDB

KNApSAcK Metabolite C00041870

Metabolite

KNApSAcK Entry

id C00041870
Name Solanigroside E / (-)-Solanigroside E
CAS RN 905914-29-6
Standard InChI InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,48+,49+,50+,51-,52+,53+,54-,55-/m1/s1
Standard InChI (Main Layer) InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI CHEMBL501125
By standard InChI Main Layer CHEMBL501125

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Solanum nigrum 4112 Solanaceae asterids Viridiplantae