PCIDB

KNApSAcK Metabolite C00027242

Metabolite

KNApSAcK Entry

id C00027242
Name (4R)-4-Hydroxyipecoside / (-)-(4R)-4-Hydroxyipecoside
CAS RN 408363-54-2
Standard InChI InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3/t12-,13+,17-,20+,21-,22-,23+,24-,26+,27+/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 1649

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cephaelis acuminata 77880 Rubiaceae asterids Viridiplantae