HMDB0288331 RDKit 3D PC(20:4(5Z,8Z,11Z,13E)+=O(15)/22:5(4Z,7Z,10Z,13Z,16Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -2.9841 -0.0216 -4.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 -0.5777 -4.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2813 0.4738 -4.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5142 -0.0486 -3.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6030 1.0388 -3.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1753 2.2496 -2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 3.4372 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 3.7421 -4.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 4.2393 -5.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2796 4.4619 -5.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 4.2552 -4.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 5.6001 -3.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6057 5.8515 -3.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 4.7381 -4.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 4.9169 -5.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4581 4.9321 -5.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 4.7697 -4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1684 3.5420 -4.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 2.5669 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 2.5075 -2.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 1.3096 -2.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 1.3709 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 2.0100 -0.8603 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.7406 0.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 0.8176 1.4918 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0553 1.5640 2.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.6961 3.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 2.4076 4.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2151 2.8987 4.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 2.6679 6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 1.8430 6.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 0.3546 6.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 0.0892 7.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -0.4556 7.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -0.8604 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.3166 5.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -2.8455 5.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -1.9860 4.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 -2.3036 5.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 -2.7432 4.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1211 -2.9583 3.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 -3.4194 2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 -3.6546 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 -3.4078 0.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6947 -4.1646 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4130 -3.1588 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7104 -3.7159 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3528 -2.6354 -1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6203 -1.3859 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -0.5645 1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.5638 3.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -2.1168 3.5588 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1190 -2.9471 3.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 -1.9915 4.9800 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3487 -2.7490 2.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -3.8517 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 -4.3518 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0101 -3.3369 -0.3147 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9194 -3.8787 -1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 -2.2105 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -2.9187 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -0.5889 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 1.0602 -5.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -0.0417 -4.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -0.9396 -3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 -1.4718 -4.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 0.7960 -5.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 1.3147 -3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2971 -0.3687 -2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9368 -0.8815 -3.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4046 0.5709 -2.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 1.1072 -4.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8885 2.1406 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8144 4.2489 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3665 4.4939 -4.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0664 2.8517 -4.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 4.4716 -6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 4.8657 -6.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 3.5450 -4.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8432 3.7962 -3.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6202 6.3785 -3.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 6.8387 -3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 4.8514 -3.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 3.7285 -3.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 5.0542 -6.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 5.0769 -6.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 4.7857 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 5.6434 -4.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 3.5042 -5.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 1.7155 -3.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 2.2728 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 3.4132 -1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 1.4152 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 0.3879 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 1.4309 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 2.5969 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 1.0714 2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 3.7376 6.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4907 2.4780 6.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 1.9565 6.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 2.1253 7.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 -0.0158 5.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 -0.0985 7.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0308 0.3362 8.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6363 7.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -0.1955 5.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 -0.6715 5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 -2.9733 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -3.9034 4.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -2.3258 3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 -0.9155 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -2.1685 6.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 -2.9605 5.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 -2.7823 2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 -3.6079 3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 -4.5515 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 -5.0282 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7752 -2.9204 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -2.2831 0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4037 -4.0428 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5176 -4.5808 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3300 -2.9956 -1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6370 -2.3784 -2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4796 -0.8751 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8216 -1.6419 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 -0.7037 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 -1.0865 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.1987 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 -4.6719 2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -3.6975 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 -5.2635 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -4.6096 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 -4.9178 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 -3.2989 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -3.9908 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -2.5389 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4417 -1.7637 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 -1.3815 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -3.4113 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -1.8090 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 -3.1433 -2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 6 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 42115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END