PCIDB

KNApSAcK Metabolite C00029709

Metabolite

KNApSAcK Entry

id C00029709
Name Aquilegioside E
CAS RN 640722-50-5
Standard InChI InChI=1S/C49H80O21/c1-21-22(14-28(53)46(6,62)20-64-40-36(60)33(57)30(54)23(15-50)65-40)70-49(63-7)18-45(5)27-9-8-26-43(2,3)29(10-11-47(26)19-48(27,47)13-12-44(45,4)39(21)49)68-42-38(35(59)32(56)25(17-52)67-42)69-41-37(61)34(58)31(55)24(16-51)66-41/h21-27,29-42,50-52,54-62H,8-20H2,1-7H3/t21-,22+,23-,24-,25-,26+,27+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38-,39?,40-,41+,42+,44-,45+,46?,47-,48+,49+/m1/s1
Standard InChI (Main Layer) InChI=1S/C49H80O21/c1-21-22(14-28(53)46(6,62)20-64-40-36(60)33(57)30(54)23(15-50)65-40)70-49(63-7)18-45(5)27-9-8-26-43(2,3)29(10-11-47(26)19-48(27,47)13-12-44(45,4)39(21)49)68-42-38(35(59)32(56)25(17-52)67-42)69-41-37(61)34(58)31(55)24(16-51)66-41/h21-27,29-42,50-52,54-62H,8-20H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

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
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aquilegia vulgaris L 3450 Ranunculaceae eudicotyledons Viridiplantae