PCIDB

KNApSAcK Metabolite C00014801

Metabolite

KNApSAcK Entry

id C00014801
Name (6'''-O-(Delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3-O-glucoside, 7-O-xyloside, 4'-O-glucosyl))succinate
CAS RN 270062-81-2
Standard InChI InChI=1S/C72H76O41/c73-20-41-51(85)56(90)64(98)72(109-41)113-67-55(89)48-34(76)16-31(104-68-60(94)50(84)37(79)21-102-68)18-39(48)107-66(67)26-4-8-29(9-5-26)103-69-61(95)57(91)52(86)42(110-69)22-100-46(81)11-12-47(82)101-23-43-53(87)58(92)62(96)70(111-43)105-30-15-33(75)32-19-40(65(106-38(32)17-30)27-13-35(77)49(83)36(78)14-27)108-71-63(97)59(93)54(88)44(112-71)24-99-45(80)10-3-25-1-6-28(74)7-2-25/h1-10,13-19,37,41-44,50-54,56-64,68-73,79,84-88,90-98H,11-12,20-24H2,(H5-,74,75,76,77,78,80,83,89)/p+1/t37-,41?,42?,43?,44?,50+,51-,52-,53-,54-,56+,57+,58+,59+,60?,61?,62?,63?,64?,68+,69-,70-,71-,72+/m1/s1
Standard InChI (Main Layer) InChI=1S/C72H76O41/c73-20-41-51(85)56(90)64(98)72(109-41)113-67-55(89)48-34(76)16-31(104-68-60(94)50(84)37(79)21-102-68)18-39(48)107-66(67)26-4-8-29(9-5-26)103-69-61(95)57(91)52(86)42(110-69)22-100-46(81)11-12-47(82)101-23-43-53(87)58(92)62(96)70(111-43)105-30-15-33(75)32-19-40(65(106-38(32)17-30)27-13-35(77)49(83)36(78)14-27)108-71-63(97)59(93)54(88)44(112-71)24-99-45(80)10-3-25-1-6-28(74)7-2-25/h1-10,13-19,37,41-44,50-54,56-64,68-73,79,84-88,90-98H,11-12,20-24H2,(H5-,74,75,76,77,78,80,83,89)

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
Amaryllidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Agapanthus praecox 186128 Amaryllidaceae Liliopsida Viridiplantae