Feedback

Genistein 7-O-glucoside-6''-malonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM54864

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

formula

C₂₄H₂₂O₁₃

charge

mass

518.10604

reference

lipidmapsM:LMPK12050173

InChIKey

FRAUJUKWSKMNJY-KCOYORQASA-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)OCC1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12050173 lipidmapsM:LMPK12050173	Genistein 7-O-glucoside-6''-malonate
hmdb:HMDB0029529	6''-Malonylgenistin 3-oxo-3-[(3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoate 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid Genistein 7-O-glucoside 6''-malonate Genistein 7-O-glucoside-6''-malonate
hmdb:HMDB29529	secondary/obsolete/fantasy identifier