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Methyl nomilinate 17-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM128007

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

formula

C₃₅H₅₀O₁₆

charge

mass

726.30989

reference

hmdb:HMDB0039887

InChIKey

UWQVYSUHQUNHFN-UHFFFAOYSA-N

InChI

InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44)

SMILES

COC(=O)CC(OC(C)=O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)c1ccoc1)C21OC1C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039887	Methyl nomilinate 17-glucoside 5-[1-(Acetyloxy)-3-methoxy-3-oxopropyl]-2-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylate 5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-2-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid 5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-2-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-tetrahydro-3H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid Methyl nomilinic acid 17-glucoside
hmdb:HMDB39887	secondary/obsolete/fantasy identifier