PCIDB

KNApSAcK Metabolite C00042623

Metabolite

KNApSAcK Entry

id C00042623
Name Ipomoeassin C / (-)-Ipomoeassin C
CAS RN 850894-53-0
Standard InChI InChI=1S/C42H58O16/c1-6-14-28-17-12-9-13-18-29(44)30(45)20-22-32(46)51-23-31-37(56-33(47)21-19-27-15-10-8-11-16-27)38(57-40(50)24(3)7-2)35(49)41(55-31)58-39-34(48)36(53-26(5)43)25(4)52-42(39)54-28/h7-8,10-11,15-16,19,21,25,28-29,31,34-39,41-42,44,48-49H,6,9,12-14,17-18,20,22-23H2,1-5H3/b21-19+,24-7+/t25-,28+,29+,31-,34+,35-,36+,37-,38-,39-,41+,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H58O16/c1-6-14-28-17-12-9-13-18-29(44)30(45)20-22-32(46)51-23-31-37(56-33(47)21-19-27-15-10-8-11-16-27)38(57-40(50)24(3)7-2)35(49)41(55-31)58-39-34(48)36(53-26(5)43)25(4)52-42(39)54-28/h7-8,10-11,15-16,19,21,25,28-29,31,34-39,41-42,44,48-49H,6,9,12-14,17-18,20,22-23H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2109

Link

ChEMBL

By standard InChI CHEMBL505295
By standard InChI Main Layer CHEMBL505295

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