PCIDB

KNApSAcK Metabolite C00014802

Metabolite

KNApSAcK Entry

id C00014802
Name (6'''-O-(Delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3,7-di-O-glucoside, 4'-O-glucosyl))succinate
CAS RN 270062-82-3
Standard InChI InChI=1S/C73H78O42/c74-20-40-50(85)56(91)61(96)70(110-40)106-31-16-34(78)48-38(18-31)108-67(68(55(48)90)115-73-65(100)57(92)51(86)41(21-75)111-73)26-4-8-29(9-5-26)104-69-62(97)58(93)52(87)42(112-69)22-102-46(82)11-12-47(83)103-23-43-53(88)59(94)63(98)71(113-43)105-30-15-33(77)32-19-39(66(107-37(32)17-30)27-13-35(79)49(84)36(80)14-27)109-72-64(99)60(95)54(89)44(114-72)24-101-45(81)10-3-25-1-6-28(76)7-2-25/h1-10,13-19,40-44,50-54,56-65,69-75,85-89,91-100H,11-12,20-24H2,(H5-,76,77,78,79,80,81,84,90)/p+1/t40?,41?,42?,43?,44?,50-,51-,52-,53-,54-,56+,57+,58+,59+,60+,61?,62?,63?,64?,65?,69-,70-,71-,72-,73+/m1/s1
Standard InChI (Main Layer) InChI=1S/C73H78O42/c74-20-40-50(85)56(91)61(96)70(110-40)106-31-16-34(78)48-38(18-31)108-67(68(55(48)90)115-73-65(100)57(92)51(86)41(21-75)111-73)26-4-8-29(9-5-26)104-69-62(97)58(93)52(87)42(112-69)22-102-46(82)11-12-47(83)103-23-43-53(88)59(94)63(98)71(113-43)105-30-15-33(77)32-19-39(66(107-37(32)17-30)27-13-35(79)49(84)36(80)14-27)109-72-64(99)60(95)54(89)44(114-72)24-101-45(81)10-3-25-1-6-28(76)7-2-25/h1-10,13-19,40-44,50-54,56-65,69-75,85-89,91-100H,11-12,20-24H2,(H5-,76,77,78,79,80,81,84,90)

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