Marvin  07060818302D          

 21 21  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  3  2  2  0  0  0  0
 19  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  1  6  1  0  0  0  0
  8  7  1  0  0  0  0
 16  7  1  0  0  0  0
  9  8  2  3  0  0  0
 10  9  1  0  0  0  0
 17  9  1  0  0  0  0
 11 10  2  3  0  0  0
 12 11  1  0  0  0  0
 13 12  2  3  0  0  0
 14 13  1  0  0  0  0
 18 13  1  0  0  0  0
 15 14  2  3  0  0  0
M  END
> <ID>
CHEBI:50211

> <NAME>
retinol

> <DEFINITION>
A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:15037; CHEBI:26538

> <SYNONYM>
retinol

> <IUPAC_NAME>
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol

> <FORMULA>
C20H30O

> <MASS>
286.45160

> <MONOISOTOPIC_MASS>
286.22967

> <CHARGE>
0

> <SMILES>
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO

> <INCHI>
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3

> <INCHIKEY>
FPIPGXGPPPQFEQ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-5317

> <METACYC_ACCESSION>
Retinols

$$$$