PCIDB

KNApSAcK Metabolite C00041907

Metabolite

KNApSAcK Entry

id C00041907
Name Symplocososide P / (-)-Symplocososide P
CAS RN 918300-73-9
Standard InChI InChI=1S/C61H90O24/c1-11-27(2)51(75)85-49-48(84-52(76)29-15-13-12-14-16-29)56(4,5)23-31-30-17-18-35-58(8)21-20-36(57(6,7)34(58)19-22-59(35,9)60(30,10)46(71)47(72)61(31,49)26-64)80-55-45(83-54-41(70)39(68)37(66)32(24-62)78-54)43(77-28(3)65)42(44(82-55)50(73)74)81-53-40(69)38(67)33(25-63)79-53/h12-17,27,31-49,53-55,62-64,66-72H,11,18-26H2,1-10H3,(H,73,74)/t27?,31-,32+,33-,34-,35+,36-,37+,38-,39-,40+,41+,42-,43-,44-,45+,46-,47+,48-,49-,53-,54-,55+,58-,59+,60-,61-/m0/s1
Standard InChI (Main Layer) InChI=1S/C61H90O24/c1-11-27(2)51(75)85-49-48(84-52(76)29-15-13-12-14-16-29)56(4,5)23-31-30-17-18-35-58(8)21-20-36(57(6,7)34(58)19-22-59(35,9)60(30,10)46(71)47(72)61(31,49)26-64)80-55-45(83-54-41(70)39(68)37(66)32(24-62)78-54)43(77-28(3)65)42(44(82-55)50(73)74)81-53-40(69)38(67)33(25-63)79-53/h12-17,27,31-49,53-55,62-64,66-72H,11,18-26H2,1-10H3,(H,73,74)

Cluster

Phytochemical cluster
KCF-S cluster No. 136

Link

ChEMBL

By standard InChI CHEMBL502899
By standard InChI Main Layer CHEMBL502899

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