PCIDB

KNApSAcK Metabolite C00005991

Metabolite

KNApSAcK Entry

id C00005991
Name Quercetin 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside
CAS RN 111545-15-4
Standard InChI InChI=1S/C42H46O22/c1-15-28(48)31(51)34(54)40(58-15)57-14-25-38(63-26(47)10-5-17-3-7-19(43)8-4-17)33(53)36(56)42(62-25)64-39-30(50)27-23(46)12-20(60-41-35(55)32(52)29(49)16(2)59-41)13-24(27)61-37(39)18-6-9-21(44)22(45)11-18/h3-13,15-16,25,28-29,31-36,38,40-46,48-49,51-56H,14H2,1-2H3/b10-5+/t15?,16?,25?,28-,29-,31-,32-,33?,34?,35?,36?,38-,40+,41-,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H46O22/c1-15-28(48)31(51)34(54)40(58-15)57-14-25-38(63-26(47)10-5-17-3-7-19(43)8-4-17)33(53)36(56)42(62-25)64-39-30(50)27-23(46)12-20(60-41-35(55)32(52)29(49)16(2)59-41)13-24(27)61-37(39)18-6-9-21(44)22(45)11-18/h3-13,15-16,25,28-29,31-36,38,40-46,48-49,51-56H,14H2,1-2H3

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
Coutoubea spicata 84878 Gentianaceae asterids Viridiplantae