PCIDB

KNApSAcK Metabolite C00006771

Metabolite

KNApSAcK Entry

id C00006771
Name Pelargonidin 3-(6''-malonylglucoside)-5-(6'''-acetylglucoside)
CAS RN 161993-00-6
Standard InChI InChI=1S/C32H34O19/c1-12(33)45-10-20-24(39)26(41)28(43)31(50-20)48-18-7-15(35)6-17-16(18)8-19(30(47-17)13-2-4-14(34)5-3-13)49-32-29(44)27(42)25(40)21(51-32)11-46-23(38)9-22(36)37/h2-8,20-21,24-29,31-32,39-44H,9-11H2,1H3,(H2-,34,35,36,37)/p+1/t20?,21?,24-,25-,26+,27?,28?,29?,31-,32-/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H34O19/c1-12(33)45-10-20-24(39)26(41)28(43)31(50-20)48-18-7-15(35)6-17-16(18)8-19(30(47-17)13-2-4-14(34)5-3-13)49-32-29(44)27(42)25(40)21(51-32)11-46-23(38)9-22(36)37/h2-8,20-21,24-29,31-32,39-44H,9-11H2,1H3,(H2-,34,35,36,37)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

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
Verbenaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Verbena x hybrida 76714 Verbenaceae asterids Viridiplantae