TG(18:1(11Z)/20:0/18:1(11Z))
  Mrv1652303302020512D          

 66 65  0  0  0  0            999 V2000
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   21.0039   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4344   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7203   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0062   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2921   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5779   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8638   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1497   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5457   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5457   -5.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8316   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2948   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
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 27  6  1  0  0  0  0
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 65 66  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB001792

> <DATABASE_NAME>
CDB

> <SMILES>
[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-

> <INCHI_KEY>
MIAUUKZRJAXLRT-XFUYORNGSA-N

> <FORMULA>
C59H110O6

> <MOLECULAR_WEIGHT>
915.5011

> <EXACT_MASS>
914.830241252

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
175

> <JCHEM_AVERAGE_POLARIZABILITY>
123.11314868400969

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl icosanoate

> <ALOGPS_LOGP>
10.75

> <JCHEM_LOGP>
21.756853691000003

> <ALOGPS_LOGS>
-8.07

> <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>
280.3315

> <JCHEM_ROTATABLE_BOND_COUNT>
56

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.81e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl icosanoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001792

> <GENERIC_NAME>
TG(18:1(11Z)/20:0/18:1(11Z))

$$$$