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malonylgenistin

Properties

Image

Occurences in reactions

MNX_ID

MNXM7508

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₄H₂₂O₁₃

charge

mass

518.10604

reference

chebi:80372

InChIKey

FRAUJUKWSKMNJY-RSEYPYQYSA-N

InChI

InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1

SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)[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
CHEBI:80372 chebi:80372	malonylgenistin 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside 6''-Malonylgenistin genistein 7-O-beta-D-glucoside 6''-O-malonate genistin malonate
kegg.compound:C16192 keggC:C16192	Malonylgenistin
seed.compound:cpd14911 seedM:cpd14911	Malonylgenistin malonylgenistin
metacyc.compound:CPD-3422 metacycM:CPD-3422	malonylgenistin
chebi:133338 keggC:M_C16192 seedM:M_cpd14911	secondary/obsolete/fantasy identifier