PCIDB

KNApSAcK Metabolite C00034784

Metabolite

KNApSAcK Entry

id C00034784
Name Aesculioside Ic / (-)-Aesculioside Ic
CAS RN 886840-35-3
Standard InChI InChI=1S/C47H76O20/c1-42(2)14-20-19-8-9-24-44(5)12-11-26(43(3,4)23(44)10-13-45(24,6)46(19,7)15-25(51)47(20,18-50)37(59)36(42)58)64-41-35(67-40-31(56)29(54)27(52)21(16-48)62-40)33(32(57)34(66-41)38(60)61)65-39-30(55)28(53)22(17-49)63-39/h8,20-37,39-41,48-59H,9-18H2,1-7H3,(H,60,61)/t20-,21+,22-,23-,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,39-,40-,41+,44-,45+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H76O20/c1-42(2)14-20-19-8-9-24-44(5)12-11-26(43(3,4)23(44)10-13-45(24,6)46(19,7)15-25(51)47(20,18-50)37(59)36(42)58)64-41-35(67-40-31(56)29(54)27(52)21(16-48)62-40)33(32(57)34(66-41)38(60)61)65-39-30(55)28(53)22(17-49)63-39/h8,20-37,39-41,48-59H,9-18H2,1-7H3,(H,60,61)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL1095024
By standard InChI Main Layer CHEMBL1095024

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