CL(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
  Mrv1652303302023472D          

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
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   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
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   28.8475   -4.8685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   28.8475   -3.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   17.3489   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9207   -4.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
> <DATABASE_ID>
CDB004310

> <DATABASE_NAME>
CDB

> <SMILES>
[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)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/C81H138O17P2/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/h9,11-13,15-16,21,23-28,30,33,35-37,39-40,75-77,82H,5-8,10,14,17-20,22,29,31-32,34,38,41-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,15-11-,16-12-,25-21-,27-23-,28-24-,30-26-,37-33-,39-35-,40-36-/t75-,76-,77-/m1/s1

> <INCHI_KEY>
YSNRCTJHTBQXBH-HLHJOHADSA-N

> <FORMULA>
C81H138O17P2

> <MOLECULAR_WEIGHT>
1445.926

> <EXACT_MASS>
1444.94092698

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
238

> <JCHEM_AVERAGE_POLARIZABILITY>
168.90238589004815

> <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-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.07

> <JCHEM_LOGP>
23.650449814666665

> <ALOGPS_LOGS>
-7.21

> <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>
418.07569999999976

> <JCHEM_ROTATABLE_BOND_COUNT>
76

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.97e-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-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB004310

> <GENERIC_NAME>
CL(18:1(11Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

$$$$