PCIDB

KNApSAcK Metabolite C00032944

Metabolite

KNApSAcK Entry

id C00032944
Name Escin IVh
CAS RN 257879-58-6
Standard InChI InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)48(3,4)16-24-23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(58)53(24,42)21-57)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,45-,46-,47+,49-,50+,51+,52+,53-/m0/s1
Standard InChI (Main Layer) InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)48(3,4)16-24-23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(58)53(24,42)21-57)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Hippocastanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aesculus chinensis 290911 Hippocastanaceae rosids Viridiplantae