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6-{[2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM1112419

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

formula

C₃₆H₄₂O₁₃

charge

mass

682.26254

reference

hmdb:HMDB0129753

InChIKey

YEXQAKTTXSLRHP-UHFFFAOYSA-N

InChI

InChI=1S/C36H42O13/c1-17(2)8-11-22-25(48-36-32(44)30(42)31(43)34(49-36)35(45)46)15-26-27(28(22)40)29(41)23(12-9-18(3)6-5-7-19(4)16-37)33(47-26)21-13-10-20(38)14-24(21)39/h7-10,13-15,30-32,34,36-40,42-44H,5-6,11-12,16H2,1-4H3,(H,45,46)

SMILES

CC(C)=CCc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3O)c(CC=C(C)CCC=C(C)CO)c(=O)c2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0129753	6-{[2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6-{[2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate 6-{[2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid