TG(14:0/14:1(9Z)/16:0)
  Mrv1652304032016552D          

 53 52  0  0  0  0            999 V2000
   24.1446   -6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1834   -7.0352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2219   -6.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1445   -5.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2605   -7.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831   -8.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5460   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5460   -5.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8319   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1178   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4036   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6895   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9754   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2613   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5472   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1189   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4048   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6907   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9766   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2624   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4686   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4686   -9.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7544   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0403   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3262   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6121   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8980   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1838   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4697   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7556   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9306   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2165   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5024   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7882   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0741   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4300   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4300   -4.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7159   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0018   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2876   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5735   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8594   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1453   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4311   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7170   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0029   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2888   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5747   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8605   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1464   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4323   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7182   -5.3708    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
  4 37  1  0  0  0  0
  7  5  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 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
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0062300

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-/t44-/m1/s1

> <INCHI_KEY>
JRZPEKVQFIJQHH-YVCFFHMXSA-N

> <FORMULA>
C47H88O6

> <MOLECULAR_WEIGHT>
749.215

> <EXACT_MASS>
748.658090554

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
141

> <JCHEM_AVERAGE_POLARIZABILITY>
99.40627915661028

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl hexadecanoate

> <ALOGPS_LOGP>
10.43

> <JCHEM_LOGP>
16.783951367666667

> <ALOGPS_LOGS>
-7.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366683

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
224.0029

> <JCHEM_ROTATABLE_BOND_COUNT>
45

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.14e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl hexadecanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0062300

> <GENERIC_NAME>
TG(14:0/14:1(9Z)/16:0)

$$$$