Ketcher 06271911092D 1 1.00000 0.00000 0 70 69 0 1 0 999 V2000 23.5643 -14.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4392 -14.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3141 -14.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5641 -12.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1889 -14.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5611 -16.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3232 -16.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7279 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7279 -11.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8919 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0561 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2201 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3842 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4186 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5827 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7467 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7811 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9451 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3077 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4717 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5060 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6702 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8685 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 -12.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -12.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7249 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7249 -17.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8890 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0530 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2172 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3812 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5453 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7095 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8736 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0376 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0720 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2360 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4001 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4345 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5986 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7969 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9611 -16.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 -16.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3527 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3527 -13.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6808 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8450 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8793 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2075 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2416 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4058 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6043 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7684 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1308 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3293 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 -14.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 -14.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 6 1 0 0 0 2 7 1 1 0 0 3 2 1 0 0 0 4 1 1 0 0 0 4 8 1 0 0 0 5 3 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 29 6 1 0 0 0 29 30 2 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 48 5 1 0 0 0 48 49 2 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 2 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 2 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 2 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 2 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 M END > CHEBI:143985 > TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] > 2 > C63H94O6 > 947.439 > 946.70504 > 0 > C([C@@](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)([H])COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC > InChI=1S/C63H94O6/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/h7-12,16-21,25-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,13-15,22-24,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1 > QQEPOQKRSPJVHF-PRYLPJHCSA-N $$$$