PCIDB

KNApSAcK Metabolite C00006691

Metabolite

KNApSAcK Entry

id C00006691
Name Peonidin 3-sophoroside-5-glucoside
CAS RN 81360-22-7
Standard InChI InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19?,20?,21?,22-,23-,24-,25+,26?,27?,28?,29-,31?,32-,33+,34-/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)

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 2

Family

family name count
Convolvulaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea batatas 4120 Convolvulaceae asterids Viridiplantae
Ipomoea nil 35883 Convolvulaceae asterids Viridiplantae