PCIDB

KNApSAcK Metabolite C00049624

Metabolite

KNApSAcK Entry

id C00049624
Name Aurantoside E / (-)-Aurantoside E
CAS RN 233608-98-5
Standard InChI InChI=1S/C38H48Cl2N2O15/c1-19(39)12-11-14-21(40)13-9-7-5-4-6-8-10-15-23(43)27-29(47)22(16-26(41)45)42(35(27)51)36-33(30(48)24(44)17-53-36)57-37-32(50)31(49)25(18-54-37)56-38-34(52-3)28(46)20(2)55-38/h4-15,20,22,24-25,28,30-34,36-38,43-44,46,48-50H,16-18H2,1-3H3,(H2,41,45)/b5-4+,8-6+,9-7+,14-11+,15-10+,19-12-,21-13-,27-23-/t20-,22+,24-,25-,28-,30+,31-,32+,33-,34+,36-,37+,38+/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H48Cl2N2O15/c1-19(39)12-11-14-21(40)13-9-7-5-4-6-8-10-15-23(43)27-29(47)22(16-26(41)45)42(35(27)51)36-33(30(48)24(44)17-53-36)57-37-32(50)31(49)25(18-54-37)56-38-34(52-3)28(46)20(2)55-38/h4-15,20,22,24-25,28,30-34,36-38,43-44,46,48-50H,16-18H2,1-3H3,(H2,41,45)

Cluster

Phytochemical cluster
KCF-S cluster No. 1234

Link

ChEMBL

By standard InChI CHEMBL449768
By standard InChI Main Layer CHEMBL449768

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Siliquariaspongia japonica