PCIDB

KNApSAcK Metabolite C00027821

Metabolite

KNApSAcK Entry

id C00027821
Name Aglain B / (+)-Aglain B
CAS RN 177262-32-7
Standard InChI InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21-,28-,29-,31+,34?,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)

Cluster

Phytochemical cluster
KCF-S cluster No. 576

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL390463

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Meliaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aglaia argentea 306493 Meliaceae rosids Viridiplantae
Aglaia forbesii 306504 Meliaceae rosids Viridiplantae