PCIDB

KNApSAcK Metabolite C00041910

Metabolite

KNApSAcK Entry

id C00041910
Name Symplocososide S / (-)-Symplocososide S
CAS RN 918300-76-2
Standard InChI InChI=1S/C57H90O19/c1-13-29(5)49(70)76-47-46(73-36(60)23-28(4)16-14-15-27(2)3)52(6,7)24-31-30-17-18-34-54(10)21-20-35(53(8,9)33(54)19-22-55(34,11)56(30,12)44(66)45(67)57(31,47)26-59)72-51-43(40(64)39(63)42(74-51)48(68)69)75-50-41(65)38(62)37(61)32(25-58)71-50/h15,17,23,29,31-35,37-47,50-51,58-59,61-67H,13-14,16,18-22,24-26H2,1-12H3,(H,68,69)/b28-23+/t29?,31-,32+,33-,34+,35-,37+,38-,39-,40-,41+,42-,43+,44-,45+,46-,47-,50-,51+,54-,55+,56-,57-/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H90O19/c1-13-29(5)49(70)76-47-46(73-36(60)23-28(4)16-14-15-27(2)3)52(6,7)24-31-30-17-18-34-54(10)21-20-35(53(8,9)33(54)19-22-55(34,11)56(30,12)44(66)45(67)57(31,47)26-59)72-51-43(40(64)39(63)42(74-51)48(68)69)75-50-41(65)38(62)37(61)32(25-58)71-50/h15,17,23,29,31-35,37-47,50-51,58-59,61-67H,13-14,16,18-22,24-26H2,1-12H3,(H,68,69)

Cluster

Phytochemical cluster
KCF-S cluster No. 136

Link

ChEMBL

By standard InChI CHEMBL502690
By standard InChI Main Layer CHEMBL453785 CHEMBL502690

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Symplocaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Symplocos chinensis 167894 Symplocaceae asterids Viridiplantae