TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
  Mrv1652304062012512D          

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M  END
> <DATABASE_ID>
BMDB0109547

> <DATABASE_NAME>
bmdb

> <SMILES>
[H]C(COC(=O)CC\C=C/C\C=C/C\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)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,10,13-16,19,22-25,28,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-

> <INCHI_KEY>
CSZBKOFMAKGCPS-ULYMTLAESA-N

> <FORMULA>
C71H114O6

> <MOLECULAR_WEIGHT>
1063.6613

> <EXACT_MASS>
1062.86154138

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
191

> <JCHEM_AVERAGE_POLARIZABILITY>
134.4693852544256

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propan-2-yl tetracosanoate

> <ALOGPS_LOGP>
10.53

> <JCHEM_LOGP>
23.47246110433333

> <ALOGPS_LOGS>
-8.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.568162903553901

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
346.7094999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
58

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.93e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propan-2-yl tetracosanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0109547

> <GENERIC_NAME>
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

$$$$