PCIDB

KNApSAcK Metabolite C00014516

Metabolite

KNApSAcK Entry

id C00014516
Name 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone 4'-O-rutinoside
CAS RN 24292-52-2
Standard InChI InChI=1S/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3/b6-4+/t12?,20?,22-,23+,24?,25-,26-,27?,28+,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3

Cluster

Phytochemical cluster No. 13
KCF-S cluster No. 169

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C033022

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Myrtaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Myrtus communis 119949 Myrtaceae rosids Viridiplantae