PCIDB

KNApSAcK Metabolite C00006762

Metabolite

KNApSAcK Entry

id C00006762
Name Pelargonidin 3-glucoside-5-(6''-acetylglucoside)
CAS RN 170660-30-7
Standard InChI InChI=1S/C29H32O16/c1-11(31)40-10-20-22(35)24(37)26(39)28(45-20)42-17-7-14(33)6-16-15(17)8-18(27(41-16)12-2-4-13(32)5-3-12)43-29-25(38)23(36)21(34)19(9-30)44-29/h2-8,19-26,28-30,34-39H,9-10H2,1H3,(H-,32,33)/p+1/t19?,20?,21-,22-,23?,24+,25?,26?,28-,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H32O16/c1-11(31)40-10-20-22(35)24(37)26(39)28(45-20)42-17-7-14(33)6-16-15(17)8-18(27(41-16)12-2-4-13(32)5-3-12)43-29-25(38)23(36)21(34)19(9-30)44-29/h2-8,19-26,28-30,34-39H,9-10H2,1H3,(H-,32,33)

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
rosids 1
asterids 1

Family

family name count
Geraniaceae 1
Verbenaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pelargonium dolomiticum 158595 Geraniaceae rosids Viridiplantae
Verbena x hybrida 76714 Verbenaceae asterids Viridiplantae