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Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM125976

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

formula

C₂₀H₃₀O₁₃

charge

mass

478.16864

reference

hmdb:HMDB0032134

InChIKey

YFKTUCLAEHYWLL-MSLMYCKWSA-N

InChI

InChI=1S/C20H30O13/c1-8(4-3-5-9(2)22)18(29)33-20-17(28)15(26)13(24)11(32-20)7-30-19-16(27)14(25)12(23)10(6-21)31-19/h3-5,10-17,19-21,23-28H,6-7H2,1-2H3/b5-3+,8-4+

SMILES

CC(=O)/C=C/C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0032134	Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate 3,4,5-Trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E)-2-methyl-6-oxohepta-2,4-dienoic acid 3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoic acid
hmdb:HMDB32134	secondary/obsolete/fantasy identifier