PCIDB

KNApSAcK Metabolite C00029714

Metabolite

KNApSAcK Entry

id C00029714
Name Aquilegioside J
CAS RN 672940-75-9
Standard InChI InChI=1S/C47H74O19/c1-20-6-7-24(61-39(20)59)21(2)30-22(51)14-45(5)28-9-8-27-43(3,19-50)29(10-11-46(27)18-47(28,46)13-12-44(30,45)4)64-42-38(31(53)23(52)17-60-42)66-41-36(58)34(56)37(26(16-49)63-41)65-40-35(57)33(55)32(54)25(15-48)62-40/h6,21-38,40-42,48-58H,7-19H2,1-5H3/t21-,22-,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-,40+,41+,42+,43+,44-,45+,46-,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H74O19/c1-20-6-7-24(61-39(20)59)21(2)30-22(51)14-45(5)28-9-8-27-43(3,19-50)29(10-11-46(27)18-47(28,46)13-12-44(30,45)4)64-42-38(31(53)23(52)17-60-42)66-41-36(58)34(56)37(26(16-49)63-41)65-40-35(57)33(55)32(54)25(15-48)62-40/h6,21-38,40-42,48-58H,7-19H2,1-5H3

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