PCIDB

KNApSAcK Metabolite C00037374

Metabolite

KNApSAcK Entry

id C00037374
Name Khekadaengoside A / (-)-Khekadaengoside A
CAS RN 415710-99-5
Standard InChI InChI=1S/C42H64O16/c1-18-27(47)29(49)31(51)35(55-18)58-32-30(50)28(48)23(17-43)57-36(32)56-22-14-20-19(38(4,5)34(22)52)10-11-24-39(6)15-21(44)33(40(39,7)16-26(46)41(20,24)8)42(9,54)25(45)12-13-37(2,3)53/h10,14,18,20-21,23-24,27-33,35-36,43-44,47-51,53-54H,11-13,15-17H2,1-9H3/t18-,20+,21+,23+,24?,27-,28+,29+,30-,31+,32+,33-,35-,36+,39-,40+,41-,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H64O16/c1-18-27(47)29(49)31(51)35(55-18)58-32-30(50)28(48)23(17-43)57-36(32)56-22-14-20-19(38(4,5)34(22)52)10-11-24-39(6)15-21(44)33(40(39,7)16-26(46)41(20,24)8)42(9,54)25(45)12-13-37(2,3)53/h10,14,18,20-21,23-24,27-33,35-36,43-44,47-51,53-54H,11-13,15-17H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 675

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Cucurbitaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Trichosanthes tricuspidata 654837 Cucurbitaceae rosids Viridiplantae