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grasshopper ketone

Properties

Image

Occurences in reactions

MNX_ID

MNXM11728

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₂₀O₃

charge

mass

224.14124

reference

InChIKey

QMXLZUOHZGYGDY-JBGXHEPSSA-N

InChI

InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13+/m0/s1

SMILES

CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177873 chebi:177873	grasshopper ketone (-)-grasshopper ketone (3M)-4-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one (3Ra)-4-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one
seed.compound:cpd24752 seedM:cpd24752	(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-9-apo-beta-caroten-9-one grasshopper ketone
metacyc.compound:CPD-7201 metacycM:CPD-7201	grasshopper ketone (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-9-apo-beta-caroten-9-one
seedM:M_cpd24752	secondary/obsolete/fantasy identifier