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grasshopper ketone

PropertiesImage
MNX_IDMNXM11728 Image of MNXM11728
referencechebi:177873
formulaC13H20O3
global charge0
mol weight224.3
InChIKeyQMXLZUOHZGYGDY-JBGXHEPSSA-N
InChIInChI=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
SMILESCC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM11728
SMILES (mnx)[CH3:1][C:9]([CH:5]=[C:6]=[C:11]1[C:12]([CH3:2])([CH3:3])[CH2:7][C@H:10]([OH:15])[CH2:8][C@@:13]1([CH3:4])[OH:16])=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177873
chebi:177873
QMXLZUOHZGYGDY-JBGXHEPSSA-N 		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
QMXLZUOHZGYGDY-JBGXHEPSSA-N 		(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
QMXLZUOHZGYGDY-JBGXHEPSSA-N 		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