PCIDB

KNApSAcK Metabolite C00034785

Metabolite

KNApSAcK Entry

id C00034785
Name Aesculioside Id / (-)-Aesculioside Id
CAS RN 886840-36-4
Standard InChI InChI=1S/C47H76O21/c1-42(2)13-20-19-7-8-24-43(3)11-10-26(44(4,17-50)23(43)9-12-45(24,5)46(19,6)14-25(52)47(20,18-51)37(60)36(42)59)65-41-35(68-40-31(57)29(55)27(53)21(15-48)63-40)33(32(58)34(67-41)38(61)62)66-39-30(56)28(54)22(16-49)64-39/h7,20-37,39-41,48-60H,8-18H2,1-6H3,(H,61,62)/t20-,21+,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,39-,40-,41+,43-,44+,45+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H76O21/c1-42(2)13-20-19-7-8-24-43(3)11-10-26(44(4,17-50)23(43)9-12-45(24,5)46(19,6)14-25(52)47(20,18-51)37(60)36(42)59)65-41-35(68-40-31(57)29(55)27(53)21(15-48)63-40)33(32(58)34(67-41)38(61)62)66-39-30(56)28(54)22(16-49)64-39/h7,20-37,39-41,48-60H,8-18H2,1-6H3,(H,61,62)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1095020

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 pavia 43872 Hippocastanaceae rosids Viridiplantae