Mrv1652303302020582D          

 61 60  0  0  1  0            999 V2000
   15.5560  -12.9938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9849  -11.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8415  -11.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2705  -14.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6995  -12.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1271  -10.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982  -18.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982  -17.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9836  -19.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4126  -17.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9836  -20.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4126  -16.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692  -20.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1271  -16.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692  -21.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1271  -15.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5548  -21.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8415  -15.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8415  -14.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403  -22.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5560  -13.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5573  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8428  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2717  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9836  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1284  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5548  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2705  -11.7562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6982  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9863  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2705  -12.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4139  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4126  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5560  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7006  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1258  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6995  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1271  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4152  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1296  -11.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969  -11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1296  -10.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969  -12.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1296   -8.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969  -15.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1296   -8.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8441  -10.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9825  -12.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7006   -6.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969  -16.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 33  1  0  0  0  0
 30  2  1  6  0  0  0
  2 40  1  0  0  0  0
  3 37  1  0  0  0  0
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  4 22  2  0  0  0  0
  5 40  2  0  0  0  0
  6 41  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 19 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 28  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
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 59 61  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB001893

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,52H,4-15,18,21-24,29-51H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t52-/m1/s1

> <INCHI_KEY>
LXAWUIOWWNQCQA-HFHWEOLTSA-N

> <FORMULA>
C55H98O6

> <MOLECULAR_WEIGHT>
855.363

> <EXACT_MASS>
854.736340868

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
159

> <JCHEM_AVERAGE_POLARIZABILITY>
111.90080945982886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

> <ALOGPS_LOGP>
10.75

> <JCHEM_LOGP>
19.254735717666666

> <ALOGPS_LOGS>
-8.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366706

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
264.1607

> <JCHEM_ROTATABLE_BOND_COUNT>
50

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.82e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001893

> <GENERIC_NAME>
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)

$$$$