HMDB0008180 RDKit 3D PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 6.5998 1.2954 3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 1.8814 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1914 2.9056 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3536 4.0483 2.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 4.8246 2.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.8485 3.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 5.9695 4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 5.0759 5.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 5.8557 5.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 5.7299 4.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 4.8971 3.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 3.9215 4.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 3.9928 3.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 4.9728 2.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 6.1322 2.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 6.4813 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 5.7195 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 5.4164 -1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 4.6316 -2.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 3.2635 -2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4927 2.2762 -2.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 2.9199 -0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 1.6127 -0.6869 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4546 1.2909 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3741 1.5932 -1.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 1.2455 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9668 0.6759 -0.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8014 1.4410 -2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4459 0.1316 -2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6507 -0.7806 -3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -1.0419 -2.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4882 -2.0301 -3.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -3.0775 -3.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0522 -3.4838 -1.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -4.8532 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 -5.7997 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -5.5451 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4113 -5.8053 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -6.6450 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 -7.4979 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -8.9445 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 -9.9236 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5724 -11.3273 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -11.5608 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 1.1312 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 1.2816 -0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 0.8323 0.8740 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0463 1.0995 2.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -0.8278 0.6179 O 0 0 0 0 0 1 0 0 0 0 0 0 2.7768 1.7571 0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 2.0369 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.8517 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 3.2326 -2.4755 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0154 2.2603 -3.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 4.4560 -2.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 3.6377 -3.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 1.9237 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 0.3125 3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 1.0558 3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2028 1.0265 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1848 2.2624 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 2.4075 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 3.2814 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 3.5582 3.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1944 4.6809 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 5.2312 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 4.0912 2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1547 6.5974 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0603 6.7627 5.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 4.6135 6.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 4.2940 4.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 6.5645 6.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 6.3906 5.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 5.4037 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 4.2287 3.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2221 3.0735 4.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 3.1232 4.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 4.3876 1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 5.3512 3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1464 6.8888 2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 7.4243 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 6.3707 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 4.8178 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 4.9350 -0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 6.4177 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 4.5761 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 5.2288 -2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 0.9850 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 1.8563 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.2010 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 2.1428 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4157 1.8800 -3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -0.4024 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3832 0.3774 -3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1796 -1.7664 -3.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5676 -0.3084 -4.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 -0.0602 -3.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -1.1607 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 -1.8468 -4.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -3.7426 -3.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8957 -2.8126 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 -3.2182 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5949 -5.1147 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 -6.8063 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -4.5523 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 -6.3122 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -5.2079 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 -6.7331 2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 -7.3115 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4883 -7.2804 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 -9.1893 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 -9.1508 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 -9.8547 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 -9.8605 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -11.4385 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -12.0920 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -11.4772 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 -12.5794 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -10.8390 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 0.0920 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 1.8008 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 1.0467 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 2.5081 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 2.1740 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 3.7221 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 1.8059 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6086 2.8231 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3804 1.4944 -3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 5.2220 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 4.8135 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0329 4.2629 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 2.9254 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 4.6150 -2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 3.8480 -4.2321 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 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 3 63 1 0 4 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 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 49 -1 53 1 M END