PCIDB

KNApSAcK Metabolite C00006836

Metabolite

KNApSAcK Entry

id C00006836
Name Cyanidin 3-(6''-(E)-p-coumarylsambubioside)-5-glucoside
CAS RN 139906-05-1
Standard InChI InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1/t23-,27?,28?,30+,31-,32-,33+,34?,35?,36?,38-,39+,40-,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)

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 C072884

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Adoxaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Sambucus canadensis 57008 Adoxaceae asterids Viridiplantae