Mrv0541 02201516003D          

 32 31  0  0  0  0            999 V2000
   25.4411   -9.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4411  -11.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2893   -9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2893  -11.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1374   -9.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1374  -11.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5929   -9.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7447   -9.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5929  -11.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7447  -11.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8966   -9.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0481   -9.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8962  -11.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0481  -11.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1999   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3514   -9.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1959   -7.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5032   -9.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9856   -9.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8337   -9.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9856  -11.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8338  -11.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6819   -9.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5301   -9.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6821  -11.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5303  -11.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3784   -9.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2268   -9.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3787  -11.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2270  -11.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1998  -11.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3517  -11.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 30 29  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <ID>
CHEBI:84964

> <NAME>
1,2-triacontanediol

> <DEFINITION>
A glycol that is triacontane bearing two hydroxy substituents located at positions 1 and 2.

> <STAR>
3

> <SYNONYM>
1,2-dihydroxytriacontane

> <IUPAC_NAME>
triacontane-1,2-diol

> <FORMULA>
C30H62O2

> <MASS>
454.81210

> <MONOISOTOPIC_MASS>
454.47498

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO

> <INCHI>
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(32)29-31/h30-32H,2-29H2,1H3

> <INCHIKEY>
HQAZKQIPCWKWFM-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
13328817

$$$$