HMDB0009144 RDKit 3D PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -12.7874 1.4754 -3.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6123 0.7097 -2.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3387 -0.7078 -2.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8683 -1.4796 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4818 -1.1394 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6833 0.2004 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7118 1.0266 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2830 0.6691 0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5795 0.6911 2.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5843 1.4786 2.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9204 2.4868 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3054 2.8711 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6241 2.7878 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 2.2431 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2761 1.0723 -1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 -0.1540 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5811 -0.5347 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -1.1454 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 -0.6489 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 0.5404 1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 0.2278 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -0.3656 3.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -0.8584 4.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -0.4346 2.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -1.0081 2.4129 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6675 -0.0452 2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 0.4923 1.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 1.4441 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 1.7257 1.7789 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 2.0807 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 3.0439 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 2.5772 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 1.5020 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 0.1750 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0665 -0.9042 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 -1.1276 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0822 -0.0090 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3363 0.1460 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0718 -0.8417 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5805 -0.1729 -1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8697 -0.1278 -2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9613 -0.6573 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 0.3304 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5557 1.4483 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5929 2.4455 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3687 3.4980 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -2.2345 1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 -2.7508 1.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 -4.1089 0.8799 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1399 -5.3596 1.6837 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -4.0360 0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -4.1760 -0.5701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8355 -5.3709 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 -5.4294 -1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8354 -4.3382 -2.0875 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8592 2.5461 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7319 1.1725 -3.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1877 1.3234 -4.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5709 1.2723 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6784 0.8378 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5860 -1.1762 -3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7286 -2.5930 -1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5186 -1.6400 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2023 -1.7927 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7099 0.6025 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9927 2.0120 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7826 1.1282 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2212 -0.4410 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9054 -0.0097 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1721 1.3429 3.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8135 2.2214 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8387 3.4496 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3351 3.3420 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0904 3.1417 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 2.0895 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 3.0840 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5622 1.2393 -2.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0177 -0.9816 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3319 -1.3596 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7256 0.2092 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0443 -2.0615 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 -1.1894 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2082 1.1517 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 1.2321 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 1.2311 3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -0.3281 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -1.3907 3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6324 0.7476 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6582 -0.5590 2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 1.3696 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 2.7031 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 3.4931 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 3.9711 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4433 2.2958 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1102 3.5278 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 1.5540 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0676 1.8947 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 0.0065 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -1.8350 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 -2.0493 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8843 -1.5540 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6385 0.8050 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 1.0542 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8612 -1.2919 0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4234 -1.6790 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 0.2677 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1580 0.3850 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6490 -1.2352 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 -1.4439 -1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5813 0.7099 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7492 -0.2720 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 1.0090 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4862 2.0385 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0363 2.9695 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6237 2.0510 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4246 3.2661 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2942 4.5037 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2183 3.5102 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -2.9307 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -1.9567 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 -3.9921 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1273 -5.4945 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -6.2204 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 -5.4923 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5137 -6.3829 -1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 -4.0426 -3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 -4.5900 -1.7413 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 1 26 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 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 46118 1 0 47119 1 0 47120 1 0 51121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 M END