Mrv1652303302021062D 74 73 0 0 1 0 999 V2000 3.6922 -11.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 9.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1872 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -10.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0108 8.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7298 5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 -9.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4682 7.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -9.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1023 7.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 4.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -8.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5597 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 4.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1938 5.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 4.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 -7.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6512 5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 4.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -7.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2852 4.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 3.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 -6.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7426 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -5.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 -5.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5534 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 -4.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -4.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -4.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -2.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -1.0783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9478 -2.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -3.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -1.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -0.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1559 -7.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -6.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -6.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5659 3.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 2.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -4.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8341 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -5.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -1.7649 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 22 19 1 0 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 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 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 2 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 64 16 1 0 0 0 0 65 19 1 0 0 0 0 66 25 1 0 0 0 0 67 26 1 0 0 0 0 68 27 1 0 0 0 0 69 28 1 0 0 0 0 70 29 1 0 0 0 0 71 30 1 0 0 0 0 72 34 1 0 0 0 0 73 37 1 0 0 0 0 54 74 1 6 0 0 0 M END > CDB002009 > CDB > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC > InChI=1S/C57H100O6/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/h16,19,25-30,34,37,54H,4-15,17-18,20-24,31-33,35-36,38-53H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-/t54-/m0/s1 > GOEUQPTVSLNGLY-SIPJYBKGSA-N > C57H100O6 > 881.4003 > 880.751990932 > 3 > 163 > 115.21178180551621 > 0 > 0 > 0 > 0 > (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 10.77 > 19.781951391 > -8.16 > 0 > 0 > 0 > -6.565868619786564 > 78.9 > 274.47929999999997 > 51 > 0 > 6.09e-06 g/l > (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 0 > CDB002009 > TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:1(9Z)) $$$$