PCIDB

KNApSAcK Metabolite C00042622

Metabolite

KNApSAcK Entry

id C00042622
Name Ipomoeassin B / (-)-Ipomoeassin B
CAS RN 850894-52-9
Standard InChI InChI=1S/C40H56O14/c1-5-14-28-18-13-8-7-12-17-27(41)20-22-30(42)48-23-29-35(52-31(43)21-19-26-15-10-9-11-16-26)36(53-38(47)24(3)6-2)34(46)39(51-29)54-37-33(45)32(44)25(4)49-40(37)50-28/h6,9-11,15-16,19,21,25,28-29,32-37,39-40,44-46H,5,7-8,12-14,17-18,20,22-23H2,1-4H3/b21-19+,24-6+/t25-,28+,29-,32+,33+,34-,35-,36-,37-,39+,40+/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H56O14/c1-5-14-28-18-13-8-7-12-17-27(41)20-22-30(42)48-23-29-35(52-31(43)21-19-26-15-10-9-11-16-26)36(53-38(47)24(3)6-2)34(46)39(51-29)54-37-33(45)32(44)25(4)49-40(37)50-28/h6,9-11,15-16,19,21,25,28-29,32-37,39-40,44-46H,5,7-8,12-14,17-18,20,22-23H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2109

Link

ChEMBL

By standard InChI CHEMBL454218
By standard InChI Main Layer CHEMBL454218

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea squamosa 4119 Convolvulaceae asterids Viridiplantae