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(6R)-dehydrovomifoliol

PropertiesImage
MNX_IDMNXM165306 Image of MNXM165306
referencechebi:49177
formulaC13H18O3
global charge0
mol weight222.284
InChIKeyJJRYPZMXNLLZFH-GFUIURDCSA-N
InChIInChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m0/s1
SMILESCC(=O)/C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C
MNX internals
InChI (mnx)InChI=1/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m0/s1 Image of MNXM165306
SMILES (mnx)[CH3:1][C:9]1=[CH:7][C:11](=[O:15])[CH2:8][C:12]([CH3:3])([CH3:4])[C@@:13]1(/[CH:6]=[CH:5]/[C:10]([CH3:2])=[O:14])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49177
chebi:49177
JJRYPZMXNLLZFH-GFUIURDCSA-N 		(6R)-dehydrovomifoliol
(-)-dehydrovomifoliol
(4R)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

seed.compound:cpd21745
seedM:cpd21745
JJRYPZMXNLLZFH-GFUIURDCSA-N 		(+-)-6-hydroxy-3-oxo-alpha-ionone
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
(6R)-6-hydroxy-3-oxo-alpha-ionone
(6R)-dehydrovomifoliol

metacyc.compound:--6-HYDROXY-3-OXO-ALPHA-IONONE
metacycM:--6-HYDROXY-3-OXO-ALPHA-IONONE
JJRYPZMXNLLZFH-GFUIURDCSA-N 		(6R)-dehydrovomifoliol
(+-)-6-hydroxy-3-oxo-alpha-ionone
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
(6R)-6-hydroxy-3-oxo-alpha-ionone

seedM:M_cpd21745 		secondary/obsolete/fantasy identifier