PCIDB

KNApSAcK Metabolite C00032685

Metabolite

KNApSAcK Entry

id C00032685
Name Abutiloside I / (-)-Abutiloside I
CAS RN 449176-33-4
Standard InChI InChI=1S/C44H75NO13/c1-8-22(3)40(54)45-19-21(2)9-12-30(47)23(4)33-31(48)18-29-27-11-10-25-17-26(13-15-43(25,6)28(27)14-16-44(29,33)7)56-42-38(53)36(51)39(32(20-46)57-42)58-41-37(52)35(50)34(49)24(5)55-41/h21-29,31-39,41-42,46,48-53H,8-20H2,1-7H3,(H,45,54)/t21?,22?,23-,24+,25?,26+,27-,28+,29+,31-,32-,33+,34+,35-,36-,37-,38-,39-,41+,42-,43+,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H75NO13/c1-8-22(3)40(54)45-19-21(2)9-12-30(47)23(4)33-31(48)18-29-27-11-10-25-17-26(13-15-43(25,6)28(27)14-16-44(29,33)7)56-42-38(53)36(51)39(32(20-46)57-42)58-41-37(52)35(50)34(49)24(5)55-41/h21-29,31-39,41-42,46,48-53H,8-20H2,1-7H3,(H,45,54)

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

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