PCIDB

KNApSAcK Metabolite C00011103

Metabolite

KNApSAcK Entry

id C00011103
Name Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside)
CAS RN 395680-63-4
Standard InChI InChI=1S/C57H62O31/c58-18-34-41(66)45(70)49(74)54(85-34)80-27-15-29(62)28-17-33(84-57-50(75)46(71)42(67)35(19-59)86-57)53(81-30(28)16-27)24-13-31(82-55-51(76)47(72)43(68)36(87-55)20-78-38(63)11-5-22-1-7-25(60)8-2-22)40(65)32(14-24)83-56-52(77)48(73)44(69)37(88-56)21-79-39(64)12-6-23-3-9-26(61)10-4-23/h1-17,34-37,41-52,54-59,66-77H,18-21H2,(H3-,60,61,62,63,64,65)/p+1/t34?,35?,36-,37-,41-,42-,43-,44-,45+,46?,47?,48?,49?,50?,51?,52?,54-,55-,56-,57-/m1/s1
Standard InChI (Main Layer) InChI=1S/C57H62O31/c58-18-34-41(66)45(70)49(74)54(85-34)80-27-15-29(62)28-17-33(84-57-50(75)46(71)42(67)35(19-59)86-57)53(81-30(28)16-27)24-13-31(82-55-51(76)47(72)43(68)36(87-55)20-78-38(63)11-5-22-1-7-25(60)8-2-22)40(65)32(14-24)83-56-52(77)48(73)44(69)37(88-56)21-79-39(64)12-6-23-3-9-26(61)10-4-23/h1-17,34-37,41-52,54-59,66-77H,18-21H2,(H3-,60,61,62,63,64,65)

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
Liliopsida 2

Family

family name count
Xanthorrhoeaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dianella nigra 217991 Xanthorrhoeaceae Liliopsida Viridiplantae
Dianella tasmanica 462872 Xanthorrhoeaceae Liliopsida Viridiplantae