TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
  Mrv1652304062001052D          

 66 65  0  0  0  0            999 V2000
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    9.5283   -4.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7180   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7180   -9.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0039   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2898   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5756   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4333   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7192   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0050   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1800   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4659   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7518   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3235   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6094   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8953   -8.5575    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
   18.4033   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6892   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8642   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1501   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4360   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1827   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6436   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9295   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5012   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7871   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3589   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6448   -6.6225    0.0000 C   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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  6  0  0  0
  2  7  1  1  0  0  0
 46  5  1  0  0  0  0
 29  6  1  0  0  0  0
  4  8  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  1  0  0  0  0
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 65 66  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0104846

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,31-32,34-35,39-40,42-43,56H,4-20,22-23,29-30,33,36-38,41,44-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,35-32-,42-39-,43-40-

> <INCHI_KEY>
IFUDHWRALIGCRE-CZYHBTQCSA-N

> <FORMULA>
C59H100O6

> <MOLECULAR_WEIGHT>
905.4217

> <EXACT_MASS>
904.751990932

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
165

> <JCHEM_AVERAGE_POLARIZABILITY>
116.93361603887934

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

> <ALOGPS_LOGP>
10.72

> <JCHEM_LOGP>
19.94724540766667

> <ALOGPS_LOGS>
-8.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565947185579763

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
285.91450000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
51

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.80e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0104846

> <GENERIC_NAME>
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))

$$$$