PCIDB

KNApSAcK Metabolite C00006858

Metabolite

KNApSAcK Entry

id C00006858
Name Cyanidin 3-(6-malonylglucoside)-7,3'-bis[6-(4-glucosyl-p-hydroxybenzoyl)glucoside]
CAS RN 159690-24-1
Standard InChI InChI=1S/C62H70O38/c63-16-33-40(70)45(75)50(80)58(96-33)90-24-6-1-21(2-7-24)56(85)88-19-36-43(73)47(77)52(82)60(98-36)92-26-12-29(66)27-14-32(95-62-54(84)48(78)42(72)35(99-62)18-87-39(69)15-38(67)68)55(93-30(27)13-26)23-5-10-28(65)31(11-23)94-61-53(83)49(79)44(74)37(100-61)20-89-57(86)22-3-8-25(9-4-22)91-59-51(81)46(76)41(71)34(17-64)97-59/h1-14,33-37,40-54,58-64,70-84H,15-20H2,(H2-,65,66,67,68)/p+1/t33-,34?,35?,36?,37?,40+,41+,42+,43+,44+,45?,46?,47-,48?,49-,50?,51?,52?,53?,54?,58+,59+,60+,61+,62+/m0/s1
Standard InChI (Main Layer) InChI=1S/C62H70O38/c63-16-33-40(70)45(75)50(80)58(96-33)90-24-6-1-21(2-7-24)56(85)88-19-36-43(73)47(77)52(82)60(98-36)92-26-12-29(66)27-14-32(95-62-54(84)48(78)42(72)35(99-62)18-87-39(69)15-38(67)68)55(93-30(27)13-26)23-5-10-28(65)31(11-23)94-61-53(83)49(79)44(74)37(100-61)20-89-57(86)22-3-8-25(9-4-22)91-59-51(81)46(76)41(71)34(17-64)97-59/h1-14,33-37,40-54,58-64,70-84H,15-20H2,(H2-,65,66,67,68)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 839

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 1

Family

family name count
Orchidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dendrobium sp. 37818 Orchidaceae Liliopsida Viridiplantae