PCIDB

KNApSAcK Metabolite C00014819

Metabolite

KNApSAcK Entry

id C00014819
Name Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside)
CAS RN 198645-14-6
Standard InChI InChI=1S/C51H52O27/c52-17-33-39(61)42(64)45(67)51(76-33)75-32-16-25-29(14-24(54)15-30(25)73-49-46(68)43(65)40(62)34(77-49)18-71-37(59)10-5-21-3-8-26(55)27(56)11-21)72-48(32)22-12-28(57)38(60)31(13-22)74-50-47(69)44(66)41(63)35(78-50)19-70-36(58)9-4-20-1-6-23(53)7-2-20/h1-16,33-35,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t33?,34?,35?,39-,40-,41-,42+,43+,44+,45?,46?,47?,49-,50-,51-/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H52O27/c52-17-33-39(61)42(64)45(67)51(76-33)75-32-16-25-29(14-24(54)15-30(25)73-49-46(68)43(65)40(62)34(77-49)18-71-37(59)10-5-21-3-8-26(55)27(56)11-21)72-48(32)22-12-28(57)38(60)31(13-22)74-50-47(69)44(66)41(63)35(78-50)19-70-36(58)9-4-20-1-6-23(53)7-2-20/h1-16,33-35,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)

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
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana spp. 21496 Gentianaceae asterids Viridiplantae