HMDB0261556 RDKit 3D PE(18:3(6Z,9Z,12Z)/18:2(10E,12Z)+=O(9)) 122121 0 0 0 0 0 0 0 0999 V2000 6.5850 -0.3736 -4.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 -0.8081 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 -2.1412 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2009 -2.0157 -2.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -3.3133 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 -3.7356 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 -3.8921 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 -3.6509 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 -3.8315 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -3.6757 1.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -3.9476 3.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 -3.3083 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -2.5727 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -1.2657 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -0.3706 -1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 -0.7729 -2.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -1.7565 -3.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 -1.5229 -4.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 -1.3001 -3.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7095 -0.9974 -4.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -1.3315 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -1.0911 -1.9145 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5400 0.1504 -1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8273 0.3918 -0.5223 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 1.5289 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 2.2495 0.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2551 1.9147 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 3.3027 1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4288 4.4219 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 4.9979 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 5.6472 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 5.5265 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 4.6064 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 3.5987 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 3.3375 0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 3.9647 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 4.6177 2.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 4.3609 4.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 3.3636 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 2.2356 5.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 1.3475 4.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 1.9107 3.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.7271 2.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 -2.2325 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3882 -1.8250 -0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1808 -3.0109 0.1299 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0347 -2.6883 1.6078 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8448 -2.9108 -0.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -4.5697 -0.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -5.0161 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 -6.4254 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -6.8699 1.8568 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2628 0.3582 -5.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 0.1324 -4.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4866 -1.2333 -5.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3132 -0.8934 -3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -0.0679 -2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1745 -2.4484 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 -2.8931 -3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -1.6293 -3.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0264 -1.2752 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 -3.2263 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -4.0780 -3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2898 -3.9380 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -4.2114 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -3.3389 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 -4.1556 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 -4.2639 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -2.6974 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -2.4850 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -3.2421 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 -1.2938 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -0.6554 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 0.5128 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 0.1699 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.0743 -2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 0.1717 -3.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -1.9388 -4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 -2.8239 -3.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -2.4789 -4.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 -0.7718 -5.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1419 -0.8636 -2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 1.0247 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -0.1054 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4084 1.2374 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1191 1.6733 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 3.5484 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4219 3.3321 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 5.3352 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3431 4.2096 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8592 5.7432 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0216 4.2067 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 6.4211 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 6.2045 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 4.1752 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 5.2791 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 2.9893 -1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 2.5223 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 4.4909 2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 3.0169 2.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 5.3891 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0272 4.9413 4.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 3.9464 5.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 3.0372 4.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 2.6154 5.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 1.5718 6.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 0.7179 3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 0.5515 4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 2.2804 3.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 2.7021 2.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 0.8708 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0746 -0.2338 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 0.7184 2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -3.1445 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -2.4099 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1606 -2.0607 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3871 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5202 -5.0429 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -7.1345 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 -6.4091 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 -6.9679 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8317 -6.1619 2.6240 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 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 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 6 23 83 1 0 23 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 48116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 M END