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delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside)

MNXM148203 is deprecated and here replaced by MNXM1106805
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106805

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₆H₅₄O₂₈

charge

mass

1054.28016

reference

metacycM:CPD-16560

InChIKey

IPRXGGCUJGQBGA-FGMFUZAMSA-N

InChI

InChI=1S/C46H54O28/c1-14-28(51)33(56)37(60)43(67-14)66-13-27-32(55)36(59)40(63)46(74-27)71-24-10-19-20(48)8-18(9-23(19)70-41(24)16-6-21(49)29(52)22(50)7-16)69-45-39(62)35(58)31(54)26(73-45)12-65-42(64)15-2-4-17(5-3-15)68-44-38(61)34(57)30(53)25(11-47)72-44/h2-10,14,25-28,30-40,43-47,51,53-63H,11-13H2,1H3,(H3-,48,49,50,52)/t14-,25+,26+,27+,28-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+/m0/s1

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c([O-])cc(O[C@@H]5O[C@H](COC(=O)c6ccc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-16560 metacycM:CPD-16560	delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside)