PCIDB

KNApSAcK Metabolite C00004168

Metabolite

KNApSAcK Entry

id C00004168
Name Apigenin 7-neohesperidoside-4'-sophoroside
CAS RN 70426-63-0
Standard InChI InChI=1S/C39H50O24/c1-12-24(45)28(49)32(53)36(55-12)62-35-31(52)27(48)22(11-42)61-39(35)57-15-6-16(43)23-17(44)8-18(58-19(23)7-15)13-2-4-14(5-3-13)56-38-34(30(51)26(47)21(10-41)60-38)63-37-33(54)29(50)25(46)20(9-40)59-37/h2-8,12,20-22,24-43,45-54H,9-11H2,1H3/t12?,20?,21?,22?,24-,25+,26+,27+,28-,29-,30-,31-,32?,33?,34?,35?,36-,37-,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H50O24/c1-12-24(45)28(49)32(53)36(55-12)62-35-31(52)27(48)22(11-42)61-39(35)57-15-6-16(43)23-17(44)8-18(58-19(23)7-15)13-2-4-14(5-3-13)56-38-34(30(51)26(47)21(10-41)60-38)63-37-33(54)29(50)25(46)20(9-40)59-37/h2-8,12,20-22,24-43,45-54H,9-11H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Embryophyta 1

Family

family name count
Hedwigiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hedwigia ciliata 52988 Hedwigiaceae Embryophyta Viridiplantae