biochanin A 7-O-beta-D-glucoside 6''-O-malonate

Properties MNX_ID MNXM3550 formula C25H22O13 charge -2 mass 530.43438 reference chebi:77876

InChIKey	VRCBYTZZZFFKEN-RBZNUJCTSA-L
InChI	InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/p-2/t17-,22-,23+,24-,25-/m1/s1
SMILES	COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c2c1=O

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	3
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources

Identifier	Description
chebi:77876	biochanin A 7-O-beta-D-glucoside 6''-O-malonate 3-(4-methoxyphenyl)-5-oxido-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-)
seedM:cpd09256	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) biochanin A-7-O-glucoside-6''-malonate
chebi:28556	biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate
chebi:58577	biochanin A 7-O-beta-D-glucoside 6''-O-malonate 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside
keggC:C12625	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) Biochanin A 7-O-beta-D-glucoside 6''-O-malonate
chebi:20677 chebi:2152 chebi:31287 keggC:M_C12625 seedM:M_cpd09256	secondary/obsolete/fantasy identifier
metacycM:CPD-4564	biochanin A-7-O-glucoside-6''-malonate Biochanin A 7-O-beta-D-glucoside 6''-O-malonate biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)