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Isobiflorin 6''-gallate

Properties

Image

Occurences in reactions

MNX_ID

MNXM126793

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

formula

C₂₃H₂₂O₁₃

charge

mass

506.10604

reference

hmdb:HMDB0040633

InChIKey

LEHONRZMEVUGDI-UHFFFAOYSA-N

InChI

InChI=1S/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3

SMILES

Cc1cc(=O)c2c(O)cc(O)c(C3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c2o1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0040633	Isobiflorin 6''-gallate Isobiflorin 6''-gallic acid [6-(5,7-Dihydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid [6-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [6-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB40633	secondary/obsolete/fantasy identifier