Mrv1652304052010562D 77 76 0 0 1 0 999 V2000 13.6638 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 11.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 10.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 10.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 9.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 8.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 8.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 -4.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 7.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 -3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 7.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 5.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 -4.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 -3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 5.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 -2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 -2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 7.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 7.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 7.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 -1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 6.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 5.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 5.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 2.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 3.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 2.6448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9493 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 1.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 5.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 0.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 1.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 3.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 2.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 8.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 7.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -8.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 5.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8085 -7.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 5.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 5.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 5.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 3.0573 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 1 0 0 0 0 20 17 2 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 25 2 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 24 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 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 60 2 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 57 1 0 0 0 0 66 60 1 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 59 68 1 6 0 0 0 68 62 1 0 0 0 0 69 17 1 0 0 0 0 70 20 1 0 0 0 0 71 25 1 0 0 0 0 72 26 1 0 0 0 0 73 27 1 0 0 0 0 74 28 1 0 0 0 0 75 35 1 0 0 0 0 76 37 1 0 0 0 0 59 77 1 6 0 0 0 M END > BMDB0098149 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,35,37,59H,4-16,18-19,21-24,29-34,36,38-58H2,1-3H3/b20-17-,27-25-,28-26-,37-35-/t59-/m0/s1 > VPWLPOGEXWGFHO-SBNQYFOSSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 126.69668451881762 > 0 > 0 > 0 > 0 > (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate > 10.81 > 22.366716372666666 > -8.22 > 0 > 0 > 0 > -6.565867985382521 > 78.9 > 296.36769999999996 > 57 > 0 > 5.74e-06 g/l > (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate > 0 > BMDB0098149 > TG(15:0/24:1(15Z)/20:3n6) $$$$