Mrv1572004261618182D 96 95 0 0 1 0 999 V2000 12.4072 7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4547 2.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9227 4.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0548 7.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9849 1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 3.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2326 8.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3372 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 3.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8802 8.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8674 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 2.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0580 8.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2198 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4265 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5882 8.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7500 -1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 1.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7660 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9277 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 7.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4579 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 7.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6357 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 8.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2833 -0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 8.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 7.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4611 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 7.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1087 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 7.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5786 0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8899 6.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2262 1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 5.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4040 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 4.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 2.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 2.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2294 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0645 5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 2.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8770 2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 5.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 3.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0548 2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 6.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9438 3.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5279 4.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3533 5.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7057 4.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7025 3.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1787 6.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 4.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6485 6.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 4.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8802 3.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 5.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 3.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 7.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1595 0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3501 9.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0452 0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 7.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1023 -1.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 8.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5754 -0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 6.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1659 -2.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 0.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5914 9.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7532 -0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1819 7.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 2.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2865 -0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4008 0.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 6.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 5.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5215 2.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 4.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5343 6.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 5.2629 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 2 0 0 0 0 11 8 2 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 2 0 0 0 0 21 18 2 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 28 1 0 0 0 0 31 30 1 0 0 0 0 32 29 1 0 0 0 0 33 31 2 0 0 0 0 34 27 2 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 34 1 0 0 0 0 40 37 1 0 0 0 0 41 38 2 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 2 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 57 54 1 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 60 69 1 6 0 0 0 69 63 1 0 0 0 0 70 7 1 0 0 0 0 71 8 1 0 0 0 0 72 10 1 0 0 0 0 73 11 1 0 0 0 0 74 16 1 0 0 0 0 75 17 1 0 0 0 0 76 18 1 0 0 0 0 77 19 1 0 0 0 0 78 20 1 0 0 0 0 79 21 1 0 0 0 0 80 25 1 0 0 0 0 81 26 1 0 0 0 0 82 27 1 0 0 0 0 83 28 1 0 0 0 0 84 29 1 0 0 0 0 85 31 1 0 0 0 0 86 33 1 0 0 0 0 87 34 1 0 0 0 0 88 35 1 0 0 0 0 89 37 1 0 0 0 0 90 38 1 0 0 0 0 91 41 1 0 0 0 0 92 43 1 0 0 0 0 93 46 1 0 0 0 0 94 47 1 0 0 0 0 95 50 1 0 0 0 0 60 96 1 6 0 0 0 M END > CHEM039757 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCC(=O)OC[C@]([H])(COC(=O)CCC([H])=C([H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,9,12-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7+,11-8+,19-16+,20-17+,21-18+,28-25+,29-26+,33-31+,34-27+,37-35+,41-38+,46-43+,50-47+/t60-/m1/s1 > OMOPBJMQRZZWCK-QWFROTPRSA-N > C63H96O6 > 949.455 > 948.720690811 > 3 > 165 > 117.41627840884917 > 0 > 0 > 0 > 0 > (2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 9.38 > 19.553990127666665 > -8.02 > 0 > 0 > 0 > -6.567053631527699 > 78.9 > 311.01809999999995 > 49 > 0 > 9.01e-06 g/l > (2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$