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Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)

Properties

Image

Occurences in reactions

MNX_ID

MNXM130935

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

formula

C₃₂H₃₈O₁₇

charge

mass

694.2109

reference

hmdb:HMDB0036978

InChIKey

TVWBWDIJOLFFCK-UHFFFAOYSA-N

InChI

InChI=1S/C32H38O17/c1-43-16-7-12(3-5-14(16)35)20-21(13-4-6-15(36)17(8-13)44-2)23-22(20)29(41)45-11-32(28(40)27(47-30(23)42)19(10-34)48-32)49-31-26(39)25(38)24(37)18(9-33)46-31/h3-8,18-28,31,33-40H,9-11H2,1-2H3

SMILES

COc1cc(C2C3C(=O)OCC4(OC5OC(CO)C(O)C(O)C5O)OC(CO)C(OC(=O)C3C2c2ccc(O)c(OC)c2)C4O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036978	Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) 14-hydroxy-5,6-bis(4-hydroxy-3-methoxyphenyl)-13-(hydroxymethyl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9,12-trioxatricyclo[9.2.1.0⁴,⁷]tetradecane-3,8-dione Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinic acid)
hmdb:HMDB36978	secondary/obsolete/fantasy identifier