HMDB0284418 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 134133 0 0 0 0 0 0 0 0999 V2000 12.5214 2.2267 -4.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 1.6799 -3.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 2.5520 -2.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 2.1464 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7870 0.7433 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 0.6558 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2379 0.1796 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0995 -0.3598 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 0.4040 3.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9617 1.0998 3.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7351 1.1956 2.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4267 2.5758 2.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 3.2088 2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 2.8238 3.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 1.5566 4.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 0.6341 4.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 0.5016 3.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 1.6061 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 1.7837 1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7397 0.9113 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -0.5220 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 -1.2273 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 -0.6121 0.9075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -2.5506 1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 -3.3612 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -3.5885 0.7407 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8478 -4.5163 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -5.6529 -0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 -6.7773 -1.2466 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0835 -8.0887 -0.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -7.1297 -1.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -6.3001 -2.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 -7.1817 -3.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7055 -6.7870 -4.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -7.8180 -4.9314 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -2.4397 0.3727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -2.1708 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 -3.0199 1.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -0.9835 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 -0.9232 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 -2.0445 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5826 -1.9724 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1581 -0.6610 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5926 -0.6386 -1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 -0.3989 -1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 -0.1447 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0163 -1.1342 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2399 -0.8037 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6723 0.5496 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9598 0.8486 -1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4505 2.2060 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0710 2.7405 -2.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9872 2.1487 -1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5990 3.4549 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4052 4.0878 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8084 3.5769 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4781 4.2026 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7486 5.2337 1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0400 6.0641 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5238 6.0675 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 3.2206 -4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 2.2316 -3.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 1.5050 -5.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4353 1.9102 -4.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 0.6179 -3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0533 3.6348 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3834 2.8413 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9906 0.1746 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9391 0.2254 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9473 1.0429 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2312 0.1576 1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2447 -0.5397 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4392 -1.4447 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8484 0.3923 3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9701 1.6420 4.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9811 0.6635 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9051 0.6227 3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1943 3.0993 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3384 4.2814 2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 3.1588 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2281 3.5969 4.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 1.3335 5.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 -0.2832 4.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 0.3457 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0372 -0.5186 2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 2.5187 2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.8683 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 1.3603 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 0.9879 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 -0.7502 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -1.0549 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -4.3476 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 -3.0063 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -4.2248 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 -4.8165 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -4.0278 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -8.0174 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -7.3429 -2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -8.1756 -3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 -5.8333 -4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 -6.8001 -5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -8.7780 -4.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -7.8383 -4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -1.0540 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -0.0968 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 0.0699 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -1.1163 2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 -3.0743 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -2.8537 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8874 -0.3027 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 0.1523 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -0.8155 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1801 -0.3884 -2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6316 -0.0634 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3415 0.8873 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 -2.1990 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0257 -1.5837 -0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0409 1.4140 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6348 0.0053 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0686 2.9357 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0899 2.9526 -2.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3361 1.5856 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2316 1.4898 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3724 3.9580 -2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8191 5.0422 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9746 3.6055 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6866 2.4333 0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9545 3.6769 2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6755 5.4997 3.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3180 7.1436 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2529 6.0164 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3162 6.3204 2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0056 6.8314 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1582 5.0374 1.0918 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 60134 1 0 M END