PCIDB

KNApSAcK Metabolite C00044072

Metabolite

KNApSAcK Entry

id C00044072
Name Alangisesquin B / (-)-Alangisesquin B
CAS RN 212007-43-7
Standard InChI InChI=1S/C37H46O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h5-8,10-14,22,28-34,37-45H,9,15-17H2,1-4H3/b6-5+/t22-,28?,29+,30?,31?,32-,33+,34+,37+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H46O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h5-8,10-14,22,28-34,37-45H,9,15-17H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1230

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
Cornaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Alangium premnifolium 16896 Cornaceae asterids Viridiplantae