HMDB0263759 RDKit 3D PA(18:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 124123 0 0 0 0 0 0 0 0999 V2000 -16.1643 0.9364 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7884 0.2568 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9106 -1.0139 -2.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3040 -1.3281 -3.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3516 -0.4448 -4.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0545 -1.1059 -4.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9202 -0.6801 -4.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4083 0.4709 -3.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2907 1.5499 -3.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5679 1.9112 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1289 1.3912 -0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2918 0.2460 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0999 0.2258 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4544 1.4055 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 1.3490 0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5684 0.0328 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3124 -0.3789 -0.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 0.0739 1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 0.4968 3.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 -0.2452 4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6173 -1.5978 3.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 -1.7051 4.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 -0.7434 4.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 0.4284 3.6938 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.1426 3.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 -0.3165 3.3501 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2965 -0.7972 1.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -0.2414 1.1823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 -0.3405 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 -1.1148 2.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 0.3403 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 -0.3295 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1038 -1.7529 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -2.2437 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6559 -1.8050 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 -0.3648 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4983 -0.1451 -0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9084 -0.5109 -2.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4312 -0.3346 -2.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8205 1.0488 -2.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5869 1.3875 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 0.4210 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6919 0.5319 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0313 0.1617 -1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4525 0.1221 -1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1734 1.4135 -1.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2856 1.9723 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -0.4195 4.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 0.0043 5.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.1140 6.6656 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9662 1.0924 6.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 -1.5576 6.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -0.2326 8.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2264 1.5490 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3542 1.5494 -2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9261 0.1366 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4336 0.0668 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1509 1.0042 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5983 -1.7760 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4902 -2.3205 -4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8045 -0.3600 -5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2980 0.5574 -4.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1317 -2.0972 -5.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0786 -1.4480 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6932 0.1137 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6406 0.9675 -4.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7683 2.1758 -4.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2912 2.8031 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1033 1.1204 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7327 2.2040 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6684 -0.7333 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5342 -0.7262 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9166 2.3837 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7665 2.2552 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2041 -0.7215 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5911 -1.0864 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.8125 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6273 0.9427 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 1.5061 3.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3716 0.1984 5.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 -1.9489 2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2488 -2.3444 4.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 -2.7366 4.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -1.5481 5.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 0.7055 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -0.5966 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 -1.9187 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.3731 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 0.5424 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 0.3350 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -0.2926 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -2.3292 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 -2.0617 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3054 -3.3918 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 -2.1812 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9999 -2.2006 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3562 -2.3619 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 -0.0203 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 0.3488 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -0.6866 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6287 0.9755 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 -1.5265 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 0.2160 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9304 -1.1302 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6934 -0.5028 -3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 1.8532 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8671 2.4639 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 -0.6350 -0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 0.6809 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1493 -0.0726 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8346 1.6426 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4908 -0.7997 -1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 0.9115 -2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9373 -0.6730 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4958 -0.2783 -3.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2037 1.2552 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6891 2.2024 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7003 2.9149 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3607 2.3263 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0778 1.2538 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 0.3303 4.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 -1.4069 4.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4539 -1.5574 5.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 -1.1932 8.4473 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 2 0 15 16 1 0 16 17 1 0 16 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 29 30 2 0 29 31 1 0 31 32 1 0 32 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 2 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 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 6 27 86 1 0 27 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 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 47120 1 0 48121 1 0 48122 1 0 52123 1 0 53124 1 0 M END