Ketcher 10192312222D 1   1.00000     0.00000     0

 18 17  0     0  0            999 V2000
    7.9043   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7705   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6365   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3685   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1005   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9665   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8326   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6986   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5646   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4307   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2967   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1627   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0287   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8948   -8.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7608   -7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0287   -6.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
M  END
> <ID>
CHEBI:197450

> <NAME>
heptadecan-3-ol

> <DEFINITION>
A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 3.

> <STAR>
3

> <SYNONYM>
3-hydroxyheptadecane; 3-heptadecanol

> <IUPAC_NAME>
heptadecan-3-ol

> <FORMULA>
C17H36O

> <MASS>
256.474

> <MONOISOTOPIC_MASS>
256.27662

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCC(O)CC

> <INCHI>
InChI=1S/C17H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h17-18H,3-16H2,1-2H3

> <INCHIKEY>
RPXAJGVDKFLODX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
84534-30-5

> <NIST_CHEMISTRY_WEBBOOK>
84534-30-5

> <PUBMED_CITATION>
28848256; 32823699; 37240810

$$$$