PCIDB

KNApSAcK Metabolite C00014828

Metabolite

KNApSAcK Entry

id C00014828
Name Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)
CAS RN 769106-18-5
Standard InChI InChI=1S/C38H40O19/c1-15-35(57-28(43)7-5-16-4-6-20(40)22(42)8-16)32(47)34(49)37(53-15)52-14-27-30(45)31(46)33(48)38(56-27)55-26-13-19-21(41)11-18(39)12-23(19)54-36(26)17-9-24(50-2)29(44)25(10-17)51-3/h4-13,15,27,30-35,37-38,45-49H,14H2,1-3H3,(H4-,39,40,41,42,43,44)/p+1/t15?,27-,30-,31?,32?,33?,34+,35+,37-,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H40O19/c1-15-35(57-28(43)7-5-16-4-6-20(40)22(42)8-16)32(47)34(49)37(53-15)52-14-27-30(45)31(46)33(48)38(56-27)55-26-13-19-21(41)11-18(39)12-23(19)54-36(26)17-9-24(50-2)29(44)25(10-17)51-3/h4-13,15,27,30-35,37-38,45-49H,14H2,1-3H3,(H4-,39,40,41,42,43,44)

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
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Petunia integrifolia subsp. inflata 212142 Solanaceae asterids Viridiplantae