PCIDB

KNApSAcK Metabolite C00014766

Metabolite

KNApSAcK Entry

id C00014766
Name Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside
CAS RN 203396-74-1
Standard InChI InChI=1S/C51H52O25/c52-19-34-39(60)42(63)45(66)49(73-34)71-32-17-27(55)16-31-28(32)18-33(47(70-31)24-7-12-29(56)30(57)15-24)72-51-48(44(65)41(62)36(75-51)21-69-38(59)14-6-23-3-10-26(54)11-4-23)76-50-46(67)43(64)40(61)35(74-50)20-68-37(58)13-5-22-1-8-25(53)9-2-22/h1-18,34-36,39-46,48-52,60-67H,19-21H2,(H4-,53,54,55,56,57,58,59)/p+1/t34?,35?,36?,39-,40-,41-,42+,43+,44+,45?,46?,48?,49-,50+,51-/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H52O25/c52-19-34-39(60)42(63)45(66)49(73-34)71-32-17-27(55)16-31-28(32)18-33(47(70-31)24-7-12-29(56)30(57)15-24)72-51-48(44(65)41(62)36(75-51)21-69-38(59)14-6-23-3-10-26(54)11-4-23)76-50-46(67)43(64)40(61)35(74-50)20-68-37(58)13-5-22-1-8-25(53)9-2-22/h1-18,34-36,39-46,48-52,60-67H,19-21H2,(H4-,53,54,55,56,57,58,59)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

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
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea asarifolia 89639 Convolvulaceae asterids Viridiplantae