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all-trans-4-oxoretinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM735096

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₂₀H₂₈O₂

charge

mass

300.20893

reference

InChIKey

PLIUCYCUYQIBDZ-RMWYGNQTSA-N

InChI

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:44597 chebi:44597	all-trans-4-oxoretinol 4-ketoretinol 4-oxo-ROL 4-oxoretinol
sabiork.compound:23380 sabiorkM:23380 seed.compound:cpd16481 seedM:cpd16481 kegg.compound:C16683 keggC:C16683	4-Oxoretinol
hmdb:HMDB0012329	4-Oxoretinol 3,7-Dimethyl-9-(3-oxo-2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraen-1-ol 3-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one 4-Ketoretinol 4-Ketovitamin a(1) 4-Ketovitamin-a-alcohol 4-Ketovitamin-alpha-alcohol 4-OxoROL 4-Oxovitamin a1 4-Oxovitamin-a-alcohol 4-Oxovitamin-alpha-alcohol 4-oxo-ROL 4-oxo-Retinol 4-oxoretinol 4OVA1 OXR all-trans-4-Oxoretinol
hmdb:HMDB12329 keggC:M_C16683 seedM:M_cpd16481	secondary/obsolete/fantasy identifier