TG(18:1(11Z)/20:1(11Z)/18:1(11Z)) Mrv1652303302020522D 66 65 0 0 0 0 999 V2000 24.1437 -6.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1826 -7.0350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2214 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1436 -5.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2601 -7.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 -8.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9378 -8.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7151 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0010 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2868 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5727 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8586 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1445 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4304 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7162 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0021 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7489 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0347 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3206 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 -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 18.8615 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1474 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 15.2909 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5768 -8.5575 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 10.1812 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7529 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -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 16.9751 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2610 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5469 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8327 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1186 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4045 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5795 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1512 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4371 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0089 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2948 -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 48 5 1 0 0 0 0 27 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 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 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 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 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 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 48 49 2 0 0 0 0 48 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 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > <DATABASE_ID> CDB001804 > <DATABASE_NAME> CDB > <SMILES> [H]C(COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC > <INCHI_IDENTIFIER> InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21-,28-25- > <INCHI_KEY> MBJRQXCNIPFXAS-ANKPWZAQSA-N > <FORMULA> C59H108O6 > <MOLECULAR_WEIGHT> 913.4852 > <EXACT_MASS> 912.814591188 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 173 > <JCHEM_AVERAGE_POLARIZABILITY> 121.61620396625833 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate > <ALOGPS_LOGP> 10.77 > <JCHEM_LOGP> 21.394932034333337 > <ALOGPS_LOGS> -8.18 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -6.565867985366662 > <JCHEM_POLAR_SURFACE_AREA> 78.9 > <JCHEM_REFRACTIVITY> 281.4481 > <JCHEM_ROTATABLE_BOND_COUNT> 55 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.06e-06 g/l > <JCHEM_TRADITIONAL_IUPAC> 1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB001804 > <GENERIC_NAME> TG(18:1(11Z)/20:1(11Z)/18:1(11Z)) $$$$