Mrv1652303302021342D          

 61 60  0  0  1  0            999 V2000
   18.6213   -3.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1923   -5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4778   -4.1526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3358   -4.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9068   -6.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634   -2.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3370   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0516   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3343  -10.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3343  -11.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6226   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7659   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0489   -9.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200  -11.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9081   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4805   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0489   -9.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200  -12.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1936   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1949   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634   -8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9055  -12.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4791   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9094   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634   -7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9055  -13.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7648   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6238   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910  -14.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4778   -7.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4765   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0502   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9055   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3384   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910  -14.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4778   -6.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7620   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3343   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3332   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9068   -4.1526    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3358   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0528   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1897   -6.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0489   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4765  -15.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -6.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1923   -6.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1897   -5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -7.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9068   -4.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -4.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1923   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6186   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -4.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634   -3.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463   -9.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 43  1  1  6  0  0  0
  1 44  1  0  0  0  0
  2 50  1  0  0  0  0
  2 53  1  0  0  0  0
  3 55  1  0  0  0  0
  3 59  1  0  0  0  0
  4 44  2  0  0  0  0
  5 50  2  0  0  0  0
  6 59  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 30  1  0  0  0  0
 26 29  1  0  0  0  0
 27 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 38  1  0  0  0  0
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 38 40  1  0  0  0  0
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 41 47  1  0  0  0  0
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 43 55  1  0  0  0  0
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 47 59  1  0  0  0  0
 49 52  1  0  0  0  0
 51 54  1  0  0  0  0
 52 57  1  0  0  0  0
 54 58  1  0  0  0  0
 56 58  2  0  0  0  0
 57 60  1  0  0  0  0
 60 61  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB002407

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h25-26,52H,4-24,27-51H2,1-3H3/b26-25-/t52-/m1/s1

> <INCHI_KEY>
XRTUKMLVVRMOLM-PLYDGSRGSA-N

> <FORMULA>
C55H104O6

> <MOLECULAR_WEIGHT>
861.4107

> <EXACT_MASS>
860.78329106

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
165

> <JCHEM_AVERAGE_POLARIZABILITY>
116.02463241056881

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,3-bis(hexadecanoyloxy)propyl (11Z)-icos-11-enoate

> <ALOGPS_LOGP>
10.70

> <JCHEM_LOGP>
20.34050068766667

> <ALOGPS_LOGS>
-7.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366662

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
260.81090000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.09e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis(hexadecanoyloxy)propyl (11Z)-icos-11-enoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB002407

> <GENERIC_NAME>
TG(20:1(11Z)/16:0/16:0)

$$$$