HMDB0008728 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 140139 0 0 0 0 0 0 0 0999 V2000 -9.8956 3.6302 2.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5161 3.0816 2.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1723 3.3580 4.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9204 2.4263 4.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9441 0.9390 4.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 0.4557 5.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -0.1236 4.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2747 -0.3528 2.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2109 -1.8147 2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4754 -2.3315 1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6387 -1.5321 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -2.0013 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 -2.5057 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -2.6743 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -2.0656 -2.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.1599 -3.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -0.5248 -3.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 0.9356 -3.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 1.8053 -2.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 1.4697 -1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 2.0845 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 1.7817 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 2.6499 0.5101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 0.6554 -0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.5796 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 0.6630 1.1633 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5331 0.7941 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 1.8603 0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 2.0253 0.2493 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9520 3.3346 0.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 0.7958 1.1367 O 0 0 0 0 0 1 0 0 0 0 0 0 4.1971 2.0811 -1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 3.2680 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4725 3.2443 -3.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 4.4278 -4.0933 N 0 0 0 0 0 4 0 0 0 0 0 0 2.7481 4.8000 -3.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 4.2150 -5.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 5.5692 -3.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 -0.4344 1.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -0.4597 3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0509 0.6454 3.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -1.7412 4.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 -2.8802 3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 -4.1938 4.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 -4.2169 5.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -3.8560 5.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -4.5915 4.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 -4.6322 3.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -5.3146 2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 -5.2832 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6344 -5.8636 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 -5.1711 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -3.7792 -1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 -2.8916 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -1.4809 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -1.3274 -3.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -1.8341 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 -1.6945 -5.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5315 3.5665 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 4.6571 2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3800 3.0143 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3817 2.0582 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 3.6926 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1181 4.4185 4.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 2.7386 6.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6295 0.5649 5.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4146 0.6943 3.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2262 0.6053 6.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8112 -0.4812 4.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6491 0.2580 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3431 -0.0855 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -2.4860 3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 -3.4269 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 -0.4570 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 -1.7657 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -1.9253 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4203 -2.8322 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 -3.8160 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 -2.4391 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -2.4012 -2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -0.7906 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 -0.9234 -4.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -0.8656 -2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 1.2749 -4.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 2.8806 -2.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 1.9864 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 0.4359 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 3.1964 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7801 1.9088 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -0.3848 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 1.3538 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 1.5506 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -0.1224 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 0.8884 2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 3.3456 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 4.1294 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 2.3535 -3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 3.2539 -3.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 5.2129 -2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 5.5213 -4.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 3.9001 -4.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 3.6634 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 5.1745 -6.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 3.5847 -5.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 6.2734 -4.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0011 5.2704 -3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 6.0772 -2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -1.8805 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -1.5713 5.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7739 -2.5236 2.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -3.0469 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -4.3539 4.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 -5.0113 3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5707 -5.3035 5.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -3.6764 6.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 -3.9239 6.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -2.7196 5.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -5.6538 4.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -4.1702 4.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -5.2526 2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7762 -3.6650 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 -4.6605 2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -6.3144 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 -4.2297 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -5.8280 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 -6.9164 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 -5.7088 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 -3.2944 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -3.7931 -2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5336 -2.9217 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 -3.2869 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -0.9852 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 -0.9159 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 -0.2432 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 -1.8927 -3.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 -2.8923 -3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1864 -1.2070 -4.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -0.9425 -5.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 -1.2523 -6.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 -2.6722 -5.9343 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 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 38107 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 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 M CHG 2 31 -1 35 1 M END