DG(18:4n3/0:0/22:6n3)
  Mrv1652304052008212D          

 49 48  0  0  1  0            999 V2000
   24.1440   -6.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1829   -7.0351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2216   -6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1439   -5.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2603   -7.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4328   -8.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9381   -8.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4295   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4295   -4.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7154   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0013   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2871   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4621   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7480   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0338   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2088   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4947   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7805   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9555   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2414   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5273   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7023   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9881   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2740   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4490   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0208   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7675   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5460   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5460   -5.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8318   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1177   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4036   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6894   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9753   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1503   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4362   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7220   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8970   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1829   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4687   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6437   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2155   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3905   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764   -6.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622   -7.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31  5  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0096691

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

> <INCHI_IDENTIFIER>
InChI=1S/C43H64O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m1/s1

> <INCHI_KEY>
NAIFRGUFZZIJHD-JSXMSGLJSA-N

> <FORMULA>
C43H64O5

> <MOLECULAR_WEIGHT>
660.98

> <EXACT_MASS>
660.475375161

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
78.07673003046693

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

> <ALOGPS_LOGP>
8.18

> <JCHEM_LOGP>
11.94042653533333

> <ALOGPS_LOGS>
-7.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.631221203128643

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3975038457515314

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
215.67290000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.05e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0096691

> <GENERIC_NAME>
DG(18:4n3/0:0/22:6n3)

$$$$