HMDB0116758 RDKit 3D PS(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -2.7617 -0.5373 -6.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 -0.1002 -6.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -0.8961 -5.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.3321 -4.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 1.1637 -4.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 1.5445 -4.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 2.2058 -3.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 2.7074 -2.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 4.2106 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 4.9446 -1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 4.4487 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 5.2627 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 4.8616 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 3.4542 2.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 3.1199 3.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 1.8424 4.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 0.5465 3.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 0.1630 2.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 -0.8666 1.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 0.8770 2.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 0.4895 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 1.6186 1.0718 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7782 1.8717 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 0.8431 2.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 1.3800 4.5088 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1139 2.4094 4.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 2.1872 5.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 0.1112 5.5163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6642 -0.4729 5.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9641 -1.6025 6.1690 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9185 -2.6122 6.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2771 -2.1713 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3742 -3.3684 5.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4084 -1.3832 5.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 1.4055 0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 2.2159 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 3.1660 -1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 2.1107 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 1.0747 -2.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 -0.3529 -2.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 -1.0422 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 -2.5443 -1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -3.4836 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9859 -3.4934 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 -4.5389 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -4.8025 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -5.2726 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 -4.8291 -1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.7321 -1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 -2.6368 -2.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 -1.5867 -1.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 -0.8679 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 0.0961 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 1.1654 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 2.0904 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 1.4150 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4108 0.2823 -7.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 -0.8992 -5.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8874 -1.3925 -7.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -0.5329 -7.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 0.9612 -6.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 -2.0175 -5.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -0.9557 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 1.7156 -5.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 1.3549 -3.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 1.2484 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 2.4520 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 2.5741 -2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 2.2753 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 4.6557 -3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 6.0340 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 3.3976 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 4.6945 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 6.3859 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 5.6213 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 3.4632 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 2.7907 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4795 4.0018 4.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 3.2329 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 1.7929 4.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 1.8427 5.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 0.3863 3.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -0.2696 4.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 0.3302 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 -0.4168 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 2.5194 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 2.7918 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 1.9641 3.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 2.4523 6.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6331 -0.8311 4.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4702 0.2743 5.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0159 -1.1700 7.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8309 -3.0116 5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 -2.2863 6.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 -0.3931 5.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 2.0212 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 3.1354 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8314 1.2955 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 1.3331 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -0.9402 -2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4908 -0.5784 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 -0.9551 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 -0.8018 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 -2.7209 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -2.6025 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 -4.5454 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -3.2688 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -3.7428 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -2.5094 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 -4.3049 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 -5.4880 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -5.6599 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -3.9300 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 -6.1230 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -5.3387 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 -4.0647 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -3.2677 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 -3.0164 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 -2.2218 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 -0.8329 -2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 -2.0508 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -1.6023 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -0.3649 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 0.5983 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -0.4908 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 0.7756 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6348 1.8090 -1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 2.6239 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 2.9013 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5098 1.3280 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 0.4840 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6719 2.1009 -0.1797 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 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 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 1 31 93 1 0 31 94 1 0 34 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END