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(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM115146

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

formula

C₁₉H₃₀O₇

charge

mass

370.19915

reference

chebi:141407

InChIKey

SZOPSAFLRCYJCX-SSRSETHHSA-N

InChI

InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11?,13?,14-,15-,16+,17-,18-/m1/s1

SMILES

CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141407 chebi:141407	(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside 3,5,5-trimethyl-4-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
hmdb:HMDB0036822	(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside 3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 3-oxo-a-Ionol 9-glucoside 3-oxo-alpha-ionol 9-glucoside
CHEBI:169794 chebi:169794	(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside 3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
hmdb:HMDB36822	secondary/obsolete/fantasy identifier