Mrv1652304052010492D 75 74 0 0 1 0 999 V2000 12.5323 -6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7940 -21.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2751 -7.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8024 -7.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6042 -21.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7350 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8742 -22.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0050 -8.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8825 -8.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6843 -22.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -9.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6927 -8.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9544 -23.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7350 -10.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9627 -9.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7645 -23.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -10.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7729 -9.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0346 -24.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -11.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0429 -10.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8447 -24.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -12.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8530 -10.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -25.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1231 -11.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -25.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9332 -11.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2033 -12.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0134 -12.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2834 -13.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -24.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0936 -13.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3636 -14.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2751 -24.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1737 -14.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8152 -24.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -12.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4438 -15.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5451 -23.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6548 -13.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2539 -15.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0852 -22.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -14.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5240 -16.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8152 -21.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3848 -14.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3341 -16.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0050 -21.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6548 -15.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6042 -17.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7350 -20.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -16.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4143 -17.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9249 -20.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -18.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7645 -18.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5746 -19.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3848 -17.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6843 -17.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6548 -20.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -17.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1442 -18.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -19.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8447 -17.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4945 -18.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8447 -19.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5746 -25.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1949 -25.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5451 -25.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6253 -24.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8954 -22.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.3553 -21.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3046 -18.3052 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 34 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 36 2 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 2 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 36 1 0 0 0 0 72 38 1 0 0 0 0 73 44 1 0 0 0 0 74 47 1 0 0 0 0 59 75 1 1 0 0 0 M END > BMDB0098088 > bmdb > [H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-36-33-28-26-23-20-17-14-11-8-5-2/h26,28,36,38,44,47,59H,4-25,27,29-35,37,39-43,45-46,48-58H2,1-3H3/b28-26-,38-36-,47-44-/t59-/m0/s1 > RQXKCNRUTXRAGL-UZYKJIIPSA-N > C62H114O6 > 955.588 > 954.861541391 > 3 > 182 > 129.27946132261502 > 0 > 0 > 0 > 0 > (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(pentadecanoyloxy)propyl tetracosanoate > 10.89 > 22.728638029333332 > -8.18 > 0 > 0 > 0 > -6.565906416373746 > 78.9 > 295.25109999999995 > 58 > 0 > 6.26e-06 g/l > (2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(pentadecanoyloxy)propyl tetracosanoate > 0 > BMDB0098088 > TG(15:0/20:3(5Z,8Z,11Z)/24:0) $$$$