Mrv1652304052010342D 75 74 0 0 1 0 999 V2000 13.6179 -7.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3023 -3.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6798 -8.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4828 -3.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3520 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9292 -7.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1550 -3.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5324 -7.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7488 -7.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3354 -2.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2046 -7.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2405 -6.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0076 -2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3850 -6.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0601 -6.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1880 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0572 -6.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5518 -6.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8602 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2376 -6.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3714 -6.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0407 -1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9098 -5.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8631 -5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5489 -1.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6826 -5.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7294 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1744 -4.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9939 -5.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4857 -4.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3052 -4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4016 -1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7970 -3.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8933 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6165 -3.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5655 0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1082 -3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0903 -5.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7459 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9278 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7624 -4.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4181 1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4195 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9429 -4.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5985 1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2391 -2.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6151 -3.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1068 0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7308 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7955 -3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2873 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5504 -2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4677 -2.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7955 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0421 -1.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5008 -1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6647 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1729 -1.0455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6481 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9760 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8617 -1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1564 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6481 0.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1895 -2.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3203 -1.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4842 -0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3534 -0.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8768 -2.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2376 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7128 -0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0572 1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9098 1.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.2707 2.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9925 -1.1402 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 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 25 1 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 2 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 1 0 0 0 68 62 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 71 35 1 0 0 0 0 72 37 1 0 0 0 0 73 43 1 0 0 0 0 74 46 1 0 0 0 0 59 75 1 1 0 0 0 M END > BMDB0097961 > bmdb > [H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C62H114O6/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/h26,28,35,37,43,46,59H,4-25,27,29-34,36,38-42,44-45,47-58H2,1-3H3/b28-26-,37-35-,46-43-/t59-/m0/s1 > SEFPBAXGKZQMOJ-BYTGDGSWSA-N > C62H114O6 > 955.588 > 954.861541391 > 3 > 182 > 129.08923824013783 > 0 > 0 > 0 > 0 > (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate > 10.89 > 22.728638029333332 > -8.18 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 295.25109999999995 > 58 > 0 > 6.26e-06 g/l > (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate > 0 > BMDB0097961 > TG(15:0/24:0/20:3(5Z,8Z,11Z)) $$$$