HMDB0298059 RDKit 3D DG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/a-21:0/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 10.6694 0.0148 6.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0692 0.8401 5.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 0.2453 4.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1891 -0.1397 3.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9791 -0.0308 2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2804 0.8346 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6832 2.1372 1.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 1.1332 0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 1.4243 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0054 1.7425 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2819 2.0255 -2.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4191 2.3819 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4535 1.5608 -4.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8428 0.3645 -5.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3587 -0.5478 -4.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5612 -1.8174 -4.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 -2.3078 -3.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 -1.8588 -2.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -2.8616 -1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 -2.7046 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.4543 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -1.1152 1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -0.7922 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3354 0.4170 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -1.7205 0.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -1.3903 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -0.5686 0.3588 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1614 -1.3545 1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -1.7141 2.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 -0.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 1.0766 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.9911 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 1.5480 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 1.8421 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 2.3426 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6996 2.6705 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 1.5315 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 0.4356 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 -0.7535 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5037 -0.5048 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6472 0.0389 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0156 -0.9028 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1388 -0.3300 -1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4115 -0.1196 -1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4799 0.4633 -2.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7678 0.6780 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3114 -0.6134 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6169 -0.4230 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4314 0.4736 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4155 -0.1688 2.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7599 0.6759 1.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3321 -0.6224 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5649 -0.0478 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 0.5274 7.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1708 -0.9710 6.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4544 1.8108 5.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2441 1.1349 4.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1942 0.1457 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1060 -0.5794 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0722 0.2933 3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7812 -1.0991 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 0.4078 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6432 2.1335 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0843 1.0881 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 1.3760 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9587 1.7701 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3877 1.9953 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 3.4389 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 2.6142 -3.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 2.0819 -5.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8241 -0.0887 -6.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -0.7810 -4.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 -0.3351 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8921 -2.3478 -5.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1683 -3.2827 -4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 -0.8628 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8655 -1.6307 -2.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 -3.8494 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2814 -3.5716 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8396 -0.5857 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9196 -1.5821 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 -0.2012 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 -1.9721 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -0.8502 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 -2.3955 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 0.3413 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 -0.7178 2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -2.2271 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -1.7978 3.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 2.5127 -1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 0.8692 -2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 0.8927 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.5953 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 1.7215 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 3.3372 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 2.9705 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 3.5651 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6065 1.2049 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1812 1.9243 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 0.1087 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5027 0.8680 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 -1.2681 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4842 -1.5092 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 0.1945 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8129 -1.4434 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4630 1.0300 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5379 0.0185 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -0.9776 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2797 -1.9119 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3465 -0.9577 -2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8647 0.6677 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2147 0.5894 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7545 -1.1121 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1369 1.4675 -2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6479 -0.1648 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4732 1.2057 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5203 1.3884 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4259 -1.3351 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6048 -1.0425 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9998 -1.4142 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3510 0.0753 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0730 1.4513 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4802 -1.2746 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5963 0.1501 3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3857 0.1206 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4510 1.1381 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6198 1.4101 2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3415 -0.7872 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6637 -1.4823 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5216 -0.5057 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 1 28 87 1 0 28 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END