PCIDB

KNApSAcK Metabolite C00005999

Metabolite

KNApSAcK Entry

id C00005999
Name Quercetin 3-(6'''-p-coumaryl-gentiobioside)-7-rhamnoside
CAS RN 138989-38-5
Standard InChI InChI=1S/C42H46O23/c1-15-28(48)32(52)36(56)41(60-15)61-19-11-22(46)27-23(12-19)62-38(17-5-8-20(44)21(45)10-17)39(31(27)51)65-42-37(57)34(54)30(50)25(64-42)14-59-40-35(55)33(53)29(49)24(63-40)13-58-26(47)9-4-16-2-6-18(43)7-3-16/h2-12,15,24-25,28-30,32-37,40-46,48-50,52-57H,13-14H2,1H3/b9-4+/t15?,24-,25?,28-,29+,30+,32-,33?,34?,35?,36?,37?,40+,41-,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H46O23/c1-15-28(48)32(52)36(56)41(60-15)61-19-11-22(46)27-23(12-19)62-38(17-5-8-20(44)21(45)10-17)39(31(27)51)65-42-37(57)34(54)30(50)25(64-42)14-59-40-35(55)33(53)29(49)24(63-40)13-58-26(47)9-4-16-2-6-18(43)7-3-16/h2-12,15,24-25,28-30,32-37,40-46,48-50,52-57H,13-14H2,1H3

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
rosids 1

Family

family name count
Resedaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ochradenus baccatus 264972 Resedaceae rosids Viridiplantae