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Dide-O-methylsimmondsin

Properties

Image

Occurences in reactions

MNX_ID

MNXM124830

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

formula

C₁₄H₂₁NO₉

charge

mass

347.12163

reference

InChIKey

MRQYIJOEUFLPMV-KTAJNNJTSA-N

InChI

InChI=1S/C14H21NO9/c15-2-1-5-7(3-6(17)10(19)9(5)18)23-14-13(22)12(21)11(20)8(4-16)24-14/h1,6-14,16-22H,3-4H2/b5-1-

SMILES

N#C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168431 chebi:168431	Dide-O-methylsimmondsin (2E)-2-[2,3,4-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
hmdb:HMDB0041207	Dide-O-methylsimmondsin 2-[(1E)-2,3,4-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile
hmdb:HMDB41207	secondary/obsolete/fantasy identifier