Mrv1652304052017112D 75 74 0 0 1 0 999 V2000 14.5355 -10.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9538 -2.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7651 -10.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2684 -2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0797 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6678 -9.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0862 -1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5764 -9.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -9.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4007 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8909 -8.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8001 -9.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2185 -1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3877 -7.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1146 -8.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5330 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7022 -7.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9324 -8.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3508 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1990 -6.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2469 -7.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6653 0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5135 -5.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0647 -7.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4831 0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 -6.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7976 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1970 -6.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5115 -5.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3293 -5.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6438 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2943 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4616 -4.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6089 2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7761 -3.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1056 3.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5939 -3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0103 -5.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2878 3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9084 -3.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7846 4.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7262 -2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3248 -4.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9668 3.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0407 -2.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8215 -3.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6523 3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8585 -2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1361 -2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8345 3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1730 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6328 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5200 2.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9908 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9474 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5699 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4376 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2554 0.5661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.7022 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3053 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4441 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1990 2.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8021 0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6263 -0.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3877 1.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1231 -0.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7586 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9863 0.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6154 1.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.4266 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4202 4.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0991 4.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4636 4.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.7522 1.2199 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 40 1 0 0 0 0 43 41 1 0 0 0 0 44 39 1 0 0 0 0 45 42 2 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 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 42 1 0 0 0 0 74 45 1 0 0 0 0 59 75 1 6 0 0 0 M END > BMDB0101223 > bmdb > [H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h26,28,35,37,42,45,59H,4-25,27,29-34,36,38-41,43-44,46-58H2,1-3H3/b28-26-,37-35-,45-42-/t59-/m1/s1 > MVSDAVRSCZCAHS-XAXGRUGVSA-N > C62H114O6 > 955.588 > 954.861541391 > 3 > 182 > 129.23502234649465 > 0 > 0 > 0 > 0 > (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate > 10.89 > 22.728638029333332 > -8.18 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 295.25109999999995 > 58 > 0 > 6.26e-06 g/l > (2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate > 0 > BMDB0101223 > TG(24:0/15:0/20:3(5Z,8Z,11Z)) $$$$