PCIDB

KNApSAcK Metabolite C00006743

Metabolite

KNApSAcK Entry

id C00006743
Name Malvidin 3-gentiotrioside
CAS RN
Standard InChI InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)39)32-18(7-13-14(38)5-12(37)6-15(13)53-32)54-35-31(48)28(45)25(42)21(57-35)10-52-34-30(47)27(44)24(41)20(56-34)9-51-33-29(46)26(43)23(40)19(8-36)55-33/h3-7,19-21,23-31,33-36,40-48H,8-10H2,1-2H3,(H2-,37,38,39)/p+1/t19?,20?,21?,23-,24-,25-,26+,27+,28?,29?,30?,31?,33-,34-,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)39)32-18(7-13-14(38)5-12(37)6-15(13)53-32)54-35-31(48)28(45)25(42)21(57-35)10-52-34-30(47)27(44)24(41)20(56-34)9-51-33-29(46)26(43)23(40)19(8-36)55-33/h3-7,19-21,23-31,33-36,40-48H,8-10H2,1-2H3,(H2-,37,38,39)

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 1

Family

family name count
Primulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Primula spp. 49647 Primulaceae asterids Viridiplantae