PCIDB

KNApSAcK Metabolite C00041906

Metabolite

KNApSAcK Entry

id C00041906
Name Symplocososide O / (-)-Symplocososide O
CAS RN 918300-72-8
Standard InChI InChI=1S/C59H92O22/c1-27(2)13-12-14-28(3)21-38(64)77-37-23-54(5,6)22-31-30-15-16-35-56(9)19-18-36(55(7,8)34(56)17-20-57(35,10)58(30,11)48(70)49(71)59(31,37)26-62)78-53-47(81-52-43(69)41(67)39(65)32(24-60)75-52)45(74-29(4)63)44(46(80-53)50(72)73)79-51-42(68)40(66)33(25-61)76-51/h13,15,21,31-37,39-49,51-53,60-62,65-71H,12,14,16-20,22-26H2,1-11H3,(H,72,73)/b28-21-/t31-,32+,33-,34-,35+,36-,37-,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,51-,52-,53+,56-,57+,58-,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H92O22/c1-27(2)13-12-14-28(3)21-38(64)77-37-23-54(5,6)22-31-30-15-16-35-56(9)19-18-36(55(7,8)34(56)17-20-57(35,10)58(30,11)48(70)49(71)59(31,37)26-62)78-53-47(81-52-43(69)41(67)39(65)32(24-60)75-52)45(74-29(4)63)44(46(80-53)50(72)73)79-51-42(68)40(66)33(25-61)76-51/h13,15,21,31-37,39-49,51-53,60-62,65-71H,12,14,16-20,22-26H2,1-11H3,(H,72,73)

Cluster

Phytochemical cluster
KCF-S cluster No. 136

Link

ChEMBL

By standard InChI CHEMBL502409
By standard InChI Main Layer CHEMBL502409

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