Mrv1652303302019462D 64 63 0 0 1 0 999 V2000 -13.1408 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -7.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4263 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1512 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -6.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7118 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1512 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9974 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -5.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2829 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -5.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5684 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -4.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -3.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -3.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -2.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 4.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4237 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 19 22 1 4 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 2 0 0 0 0 30 27 2 0 0 0 0 28 31 1 4 0 0 0 29 32 1 4 0 0 0 30 33 1 4 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 6 0 0 0 63 57 1 0 0 0 0 54 64 1 6 0 0 0 M END > CDB000841 > CDB > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC > InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,54H,4-15,17-18,20-24,31-53H2,1-3H3/t54-/m0/s1 > JTMWOTXEVWLTTO-XSMLMOGHSA-N > C57H102O6 > 883.4162 > 882.767640996 > 3 > 165 > 116.73417892557264 > 0 > 0 > 0 > 0 > (2R)-2,3-bis(octadec-9-enoyloxy)propyl octadeca-9,12-dienoate > 10.78 > 20.143873047666673 > -8.14 > 0 > 0 > 0 > -6.5658679853667286 > 78.9 > 273.36269999999996 > 52 > 0 > 6.42e-06 g/l > (2R)-2,3-bis(octadec-9-enoyloxy)propyl octadeca-9,12-dienoate > 0 > CDB000841 > TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3] $$$$