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(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114923

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

formula

C₁₆H₂₈O₈

charge

mass

348.17842

reference

InChIKey

XCEFCWBOZHJCAP-UHFFFAOYSA-N

InChI

InChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3

SMILES

CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2(C(C)(C)O)CC12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168435 chebi:168435	(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside 2-[[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyl-2-bicyclo[3.1.0]hexanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0033645	(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside 2-{[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylbicyclo[3.1.0]hexan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB33645	secondary/obsolete/fantasy identifier