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5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM27387

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

formula

C₂₃H₂₀O₁₃

charge

mass

504.09039

reference

lipidmapsM:LMPK12112850

InChIKey

QZRLCSNTKHSVAP-UFUQDQTFSA-N

InChI

InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)/t15?,16-,17?,21-,23+/m0/s1

SMILES

COc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)C(O)C3O)cc2)oc2cc3c(c(O)c2c1=O)OCO3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12112850 lipidmapsM:LMPK12112850	5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
hmdb:HMDB0038069	Gomphrenol 3-methylether 4'-glucuronide 3,4,5-Trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid
hmdb:HMDB38069	secondary/obsolete/fantasy identifier