PCIDB

KNApSAcK Metabolite C00029924

Metabolite

KNApSAcK Entry

id C00029924
Name Cesdiurin III
CAS RN 1071987-38-6
Standard InChI InChI=1S/C46H76O21/c1-18(17-61-41-36(57)33(54)30(51)25(14-47)63-41)8-11-46(60-5)19(2)28-40(67-46)32(53)29-21-7-6-20-12-24(23(50)13-45(20,4)22(21)9-10-44(28,29)3)62-42-38(59)35(56)39(27(16-49)65-42)66-43-37(58)34(55)31(52)26(15-48)64-43/h6,18-19,21-43,47-59H,7-17H2,1-5H3/t18?,19-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41+,42+,43-,44+,45-,46+/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H76O21/c1-18(17-61-41-36(57)33(54)30(51)25(14-47)63-41)8-11-46(60-5)19(2)28-40(67-46)32(53)29-21-7-6-20-12-24(23(50)13-45(20,4)22(21)9-10-44(28,29)3)62-42-38(59)35(56)39(27(16-49)65-42)66-43-37(58)34(55)31(52)26(15-48)64-43/h6,18-19,21-43,47-59H,7-17H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

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
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cestrum diurnum L 103474 Solanaceae asterids Viridiplantae