Mrv1652303302020382D          

 45 44  0  0  1  0            999 V2000
   19.4288   -3.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1433   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8578   -3.3547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5723   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2867   -3.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3607   -4.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4828   -4.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5682   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9972   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7116   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1406   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8551   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5696   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2841   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9985   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7130   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4275   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1420   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8565   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5709   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2854   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9999   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7143   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7143   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5002   -4.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9291   -4.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6436   -4.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3581   -4.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0726   -4.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7871   -4.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5015   -4.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2160   -4.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9305   -4.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6449   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3594   -4.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0739   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7884   -4.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5029   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2173   -4.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9318   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6463   -4.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6463   -5.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  3  6  1  6  0  0  0
  3  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
  1 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
  6 44  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB001604

> <DATABASE_NAME>
CDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1

> <INCHI_KEY>
AFSHUZFNMVJNKX-LLWMBOQKSA-N

> <FORMULA>
C39H72O5

> <MOLECULAR_WEIGHT>
620.986

> <EXACT_MASS>
620.537975414

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
80.99174319899424

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate

> <ALOGPS_LOGP>
10.26

> <JCHEM_LOGP>
13.057525128666665

> <ALOGPS_LOGS>
-7.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577784010572557

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983477273775563

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
188.33610000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.25e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dioleoyl-sn-glycerol

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001604

> <GENERIC_NAME>
DG(18:1(9Z)/18:1(9Z)/0:0)

$$$$