PCIDB

KNApSAcK Metabolite C00029708

Metabolite

KNApSAcK Entry

id C00029708
Name Aquilegioside D
CAS RN 640722-48-1
Standard InChI InChI=1S/C49H80O20/c1-21(18-63-41-37(60)34(57)31(54)25(15-50)64-41)23(53)14-24-22(2)40-45(5)12-13-48-20-47(48)11-10-30(44(3,4)28(47)8-9-29(48)46(45,6)19-49(40,62-7)69-24)67-43-39(36(59)33(56)27(17-52)66-43)68-42-38(61)35(58)32(55)26(16-51)65-42/h21-22,24-43,50-52,54-61H,8-20H2,1-7H3/t21?,22-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40?,41-,42+,43+,45-,46+,47-,48+,49+/m1/s1
Standard InChI (Main Layer) InChI=1S/C49H80O20/c1-21(18-63-41-37(60)34(57)31(54)25(15-50)64-41)23(53)14-24-22(2)40-45(5)12-13-48-20-47(48)11-10-30(44(3,4)28(47)8-9-29(48)46(45,6)19-49(40,62-7)69-24)67-43-39(36(59)33(56)27(17-52)66-43)68-42-38(61)35(58)32(55)26(16-51)65-42/h21-22,24-43,50-52,54-61H,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