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Myrigalone A

Properties

Image

Occurences in reactions

MNX_ID

MNXM29185

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

formula

C₁₈H₂₀O₄

charge

mass

300.13616

reference

InChIKey

CTSXBYQFSBUGKB-UHFFFAOYSA-N

InChI

InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3

SMILES

CC1C(=O)C(C(=O)CCc2ccccc2)C(=O)C(C)(C)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174873 chebi:174873	Myrigalone A 2,2,4-trimethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione
lipidmaps:LMPK12120594 lipidmapsM:LMPK12120594	2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
hmdb:HMDB0037245	Myrigalone A 2,2,4-trimethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione Myrigalone a
hmdb:HMDB37245	secondary/obsolete/fantasy identifier