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formononetin 7-O-glucoside-6''-O-malonate

MNXM5756 is deprecated and here replaced by MNXM737481
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737481

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₅H₂₄O₁₂

charge

mass

516.12678

reference

chebi:80389

InChIKey

RDTAGQKYPGLCBK-GOZZSVHWSA-N

InChI

InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1

SMILES

COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80389 chebi:80389	formononetin 7-O-glucoside-6''-O-malonate 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside 7-hydroxy-4'-methoxyisoflavone 7-O-beta-(6'-O-malonylglucoside)
seed.compound:cpd14941 seedM:cpd14941 kegg.compound:C16222 keggC:C16222	Formononetin 7-O-glucoside-6''-O-malonate
seed.compound:cpd24494 seedM:cpd24494	formononetin-7-O-glucoside-6''-malonate
metacyc.compound:CPD-4562 metacycM:CPD-4562	formononetin-7-O-glucoside-6''-malonate 6"-O-malonylononin
keggC:M_C16222 seedM:M_cpd14941 seedM:M_cpd24494	secondary/obsolete/fantasy identifier