PCIDB

KNApSAcK Metabolite C00006744

Metabolite

KNApSAcK Entry

id C00006744
Name Malvidin 3-sophoroside-5-glucoside
CAS RN 61811-04-9
Standard InChI InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1/t19?,20?,21?,23-,24-,25-,26+,27?,28?,29?,30-,32?,33-,34+,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)

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
asterids 1
rosids 1

Family

family name count
Solanaceae 1
Vitaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Solanum americanum 109975 Solanaceae asterids Viridiplantae
Vitis flexuosa 153474 Vitaceae rosids Viridiplantae