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5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM27667

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

formula

C₃₀H₃₄O₁₇

charge

mass

666.1796

reference

lipidmapsM:LMPK12111462

InChIKey

FPEYXBLVSDJZDD-NFJAQYSPSA-N

InChI

InChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17?,21-,23?,24?,29-,30?/m1/s1

SMILES

COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC(=O)CC(C)(O)CC(=O)O)c(OC)c3o2)ccc1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12111462 lipidmapsM:LMPK12111462	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside
hmdb:HMDB0037337	7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside 3-Hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoate 3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid 3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxochromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside
hmdb:HMDB37337	secondary/obsolete/fantasy identifier