PCIDB

KNApSAcK Metabolite C00014825

Metabolite

KNApSAcK Entry

id C00014825
Name Malvidin 3,7-di-(6-malonylglucoside)
CAS RN 783287-55-8
Standard InChI InChI=1S/C35H38O23/c1-50-17-3-12(4-18(51-2)26(17)43)33-19(56-35-32(49)30(47)28(45)21(58-35)11-53-25(42)9-23(39)40)7-14-15(36)5-13(6-16(14)55-33)54-34-31(48)29(46)27(44)20(57-34)10-52-24(41)8-22(37)38/h3-7,20-21,27-32,34-35,44-49H,8-11H2,1-2H3,(H3-,36,37,38,39,40,43)/p+1/t20?,21?,27-,28-,29+,30+,31?,32?,34-,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H38O23/c1-50-17-3-12(4-18(51-2)26(17)43)33-19(56-35-32(49)30(47)28(45)21(58-35)11-53-25(42)9-23(39)40)7-14-15(36)5-13(6-16(14)55-33)54-34-31(48)29(46)27(44)20(57-34)10-52-24(41)8-22(37)38/h3-7,20-21,27-32,34-35,44-49H,8-11H2,1-2H3,(H3-,36,37,38,39,40,43)

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
Liliopsida 1

Family

family name count
Iridaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Crocus chrysanthus 481050 Iridaceae Liliopsida Viridiplantae