PCIDB

KNApSAcK Metabolite C00041908

Metabolite

KNApSAcK Entry

id C00041908
Name Symplocososide Q / (-)-Symplocososide Q
CAS RN 918300-74-0
Standard InChI InChI=1S/C64H102O23/c1-14-32(6)54(77)87-53-52(83-40(68)25-31(5)18-16-17-30(3)4)59(7,8)26-34-33-19-20-38-61(11)23-22-39(60(9,10)37(61)21-24-62(38,12)63(33,13)50(75)51(76)64(34,53)29-67)82-58-48(85-57-45(73)43(71)41(69)35(27-65)80-57)46(74)47(49(86-58)55(78)79-15-2)84-56-44(72)42(70)36(28-66)81-56/h17,19,25,32,34-39,41-53,56-58,65-67,69-76H,14-16,18,20-24,26-29H2,1-13H3/b31-25-/t32?,34-,35+,36-,37-,38+,39-,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51+,52-,53-,56-,57-,58+,61-,62+,63-,64-/m0/s1
Standard InChI (Main Layer) InChI=1S/C64H102O23/c1-14-32(6)54(77)87-53-52(83-40(68)25-31(5)18-16-17-30(3)4)59(7,8)26-34-33-19-20-38-61(11)23-22-39(60(9,10)37(61)21-24-62(38,12)63(33,13)50(75)51(76)64(34,53)29-67)82-58-48(85-57-45(73)43(71)41(69)35(27-65)80-57)46(74)47(49(86-58)55(78)79-15-2)84-56-44(72)42(70)36(28-66)81-56/h17,19,25,32,34-39,41-53,56-58,65-67,69-76H,14-16,18,20-24,26-29H2,1-13H3

Cluster

Phytochemical cluster
KCF-S cluster No. 136

Link

ChEMBL

By standard InChI CHEMBL498952
By standard InChI Main Layer CHEMBL498952

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