PCIDB

KNApSAcK Metabolite C00006880

Metabolite

KNApSAcK Entry

id C00006880
Name (Delphinidin 3-gentiobios-6'''-yl)(apigenin 7-glucos-6''-yl)malonate
CAS RN 157501-11-6
Standard InChI InChI=1S/C51H50O29/c52-19-3-1-17(2-4-19)28-12-25(56)37-24(55)9-21(10-30(37)75-28)74-50-46(69)43(66)40(63)33(79-50)15-72-36(60)13-35(59)71-14-32-39(62)42(65)45(68)49(78-32)73-16-34-41(64)44(67)47(70)51(80-34)77-31-11-22-23(54)7-20(53)8-29(22)76-48(31)18-5-26(57)38(61)27(58)6-18/h1-12,32-34,39-47,49-51,62-70H,13-16H2,(H6-,52,53,54,55,56,57,58,61)/p+1/t32?,33?,34?,39-,40-,41-,42+,43+,44?,45?,46?,47?,49-,50-,51-/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H50O29/c52-19-3-1-17(2-4-19)28-12-25(56)37-24(55)9-21(10-30(37)75-28)74-50-46(69)43(66)40(63)33(79-50)15-72-36(60)13-35(59)71-14-32-39(62)42(65)45(68)49(78-32)73-16-34-41(64)44(67)47(70)51(80-34)77-31-11-22-23(54)7-20(53)8-29(22)76-48(31)18-5-26(57)38(61)27(58)6-18/h1-12,32-34,39-47,49-51,62-70H,13-16H2,(H6-,52,53,54,55,56,57,58,61)

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 1

Family

family name count
Pontederiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eichhornia crassipes 44947 Pontederiaceae Liliopsida Viridiplantae