PCIDB

KNApSAcK Metabolite C00011081

Metabolite

KNApSAcK Entry

id C00011081
Name Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside
CAS RN
Standard InChI InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26?,27-,30-,31-,32+,33?,34?,35?,37-,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Oxalidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Oxalis triangularis 519208 Oxalidaceae rosids Viridiplantae