PCIDB

KNApSAcK Metabolite C00029713

Metabolite

KNApSAcK Entry

id C00029713
Name Aquilegioside I
CAS RN 672940-74-8
Standard InChI InChI=1S/C47H74O18/c1-20-7-8-24(61-39(20)58)21(2)30-22(49)15-45(6)28-10-9-27-43(3,4)29(11-12-46(27)19-47(28,46)14-13-44(30,45)5)64-42-38(31(51)23(50)17-59-42)65-41-37(57)35(55)33(53)26(63-41)18-60-40-36(56)34(54)32(52)25(16-48)62-40/h7,21-38,40-42,48-57H,8-19H2,1-6H3/t21-,22-,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,40-,41+,42+,44-,45+,46-,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H74O18/c1-20-7-8-24(61-39(20)58)21(2)30-22(49)15-45(6)28-10-9-27-43(3,4)29(11-12-46(27)19-47(28,46)14-13-44(30,45)5)64-42-38(31(51)23(50)17-59-42)65-41-37(57)35(55)33(53)26(63-41)18-60-40-36(56)34(54)32(52)25(16-48)62-40/h7,21-38,40-42,48-57H,8-19H2,1-6H3

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