CL(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
  Mrv1652303302023312D          

103102  0  0  0  0            999 V2000
   28.9804   -8.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3986   -7.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9260   -6.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4530   -9.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3442   -5.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2255   -7.6198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5641   -7.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6600   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6989   -5.2740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.7376   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6212   -5.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7764   -5.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8928   -6.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4797   -6.1327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8475   -4.8685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   29.9761   -5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8475   -3.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9412   -9.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9800   -9.8263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0188   -9.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9024   -9.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0576   -9.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1460  -10.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7329  -10.7129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1287   -9.3529    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   27.1287   -8.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7092  -10.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0619   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0619   -4.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3478   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6337   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9195   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2054   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4913   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7772   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0631   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3489   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5239   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8098   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0957   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3816   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9533   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2392   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1784   -6.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1784   -7.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4643   -6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7502   -6.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0360   -6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3219   -6.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3431   -8.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6290   -9.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9149   -9.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8378   -9.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236   -9.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8704   -9.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0034  -11.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2892  -10.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5751  -11.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7186  -11.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8936  -11.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1795  -10.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654  -11.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6730  -10.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9589  -11.0830    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
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 11  8  1  0  0  0  0
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102103  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB004090

> <DATABASE_NAME>
CDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h9,11,13,15,21,23-25,27-28,33-40,75-77,82H,5-8,10,12,14,16-20,22,26,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,15-11-,25-21-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t75-,76-,77-/m1/s1

> <INCHI_KEY>
KPQOFTGMVKDCLR-XZSJWRCZSA-N

> <FORMULA>
C81H140O17P2

> <MOLECULAR_WEIGHT>
1447.942

> <EXACT_MASS>
1446.956577044

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
240

> <JCHEM_AVERAGE_POLARIZABILITY>
169.82546089802918

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
24.01237147133334

> <ALOGPS_LOGS>
-7.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.191804358217231

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.589737614322373

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4105029523385797

> <JCHEM_POLAR_SURFACE_AREA>
236.94999999999996

> <JCHEM_REFRACTIVITY>
416.95909999999975

> <JCHEM_ROTATABLE_BOND_COUNT>
77

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.17e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB004090

> <GENERIC_NAME>
CL(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

$$$$