PCIDB

KNApSAcK Metabolite C00006045

Metabolite

KNApSAcK Entry

id C00006045
Name Myricetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside
CAS RN 107742-05-2
Standard InChI InChI=1S/C42H46O23/c1-14-27(48)31(52)34(55)40(59-14)58-13-24-38(64-25(47)8-5-16-3-6-18(43)7-4-16)33(54)36(57)42(63-24)65-39-30(51)26-20(44)11-19(61-41-35(56)32(53)28(49)15(2)60-41)12-23(26)62-37(39)17-9-21(45)29(50)22(46)10-17/h3-12,14-15,24,27-28,31-36,38,40-46,48-50,52-57H,13H2,1-2H3/b8-5+/t14?,15?,24?,27-,28-,31-,32-,33?,34?,35?,36?,38-,40+,41-,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H46O23/c1-14-27(48)31(52)34(55)40(59-14)58-13-24-38(64-25(47)8-5-16-3-6-18(43)7-4-16)33(54)36(57)42(63-24)65-39-30(51)26-20(44)11-19(61-41-35(56)32(53)28(49)15(2)60-41)12-23(26)62-37(39)17-9-21(45)29(50)22(46)10-17/h3-12,14-15,24,27-28,31-36,38,40-46,48-50,52-57H,13H2,1-2H3

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
asterids 1

Family

family name count
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eustoma grandiflorum 52518 Gentianaceae asterids Viridiplantae