PCIDB

KNApSAcK Metabolite C00036027

Metabolite

KNApSAcK Entry

id C00036027
Name Abutiloside N / (-)-Abutiloside N
CAS RN 652144-60-0
Standard InChI InChI=1S/C51H82O24/c1-19-31-26(74-51(19)11-10-48(3,75-51)18-66-44-39(63)37(61)33(57)27(15-52)69-44)14-24-30-23(7-9-50(24,31)5)49(4)8-6-22(12-21(49)13-25(30)55)68-47-43(73-45-40(64)36(60)32(56)20(2)67-45)42(35(59)29(17-54)71-47)72-46-41(65)38(62)34(58)28(16-53)70-46/h13,19-20,22-47,52-65H,6-12,14-18H2,1-5H3/t19-,20-,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-,47+,48-,49-,50-,51-/m0/s1
Standard InChI (Main Layer) InChI=1S/C51H82O24/c1-19-31-26(74-51(19)11-10-48(3,75-51)18-66-44-39(63)37(61)33(57)27(15-52)69-44)14-24-30-23(7-9-50(24,31)5)49(4)8-6-22(12-21(49)13-25(30)55)68-47-43(73-45-40(64)36(60)32(56)20(2)67-45)42(35(59)29(17-54)71-47)72-46-41(65)38(62)34(58)28(16-53)70-46/h13,19-20,22-47,52-65H,6-12,14-18H2,1-5H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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 abutiloides 45831 Solanaceae asterids Viridiplantae