HMDB0261765 RDKit 3D PE(18:2(10E,12Z)+=O(9)/18:4(6Z,9Z,12Z,15Z)) 120119 0 0 0 0 0 0 0 0999 V2000 14.5490 2.5235 -2.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 2.9259 -2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 4.0301 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 3.9814 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 2.7900 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4874 2.2641 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 2.1813 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 2.5582 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 3.1729 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 2.6835 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 1.4229 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 0.4226 1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -0.0388 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 0.3244 2.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -0.8915 2.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 -0.5928 2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.4458 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 0.1157 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 0.8057 -0.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 -0.9382 0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -1.2956 -1.2625 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3089 -1.0506 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 -1.6587 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -2.9409 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0923 -3.7830 -1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8874 -3.4525 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 -2.9448 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 -1.4626 1.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -0.9248 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 0.5694 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 1.0754 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7171 0.5513 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0853 0.9893 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8531 0.1083 0.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5844 2.3299 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8571 2.5965 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3784 3.9334 1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6159 4.2717 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6020 3.3260 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1193 3.7425 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1501 2.7666 -1.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6686 1.3608 -1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7893 0.4637 -2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8241 -2.4921 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 -3.6530 -0.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -4.9231 -1.5736 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9939 -4.7220 -1.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -4.9942 -3.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3858 -0.9911 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 -6.4684 -0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 -7.8164 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -8.8622 -1.2902 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1065 3.4605 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8866 1.9881 -3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6757 1.8369 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4121 2.0863 -2.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9313 3.4056 -3.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 4.9631 -2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9371 4.8870 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 1.9396 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 2.7840 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 1.9059 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9858 1.7483 2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6278 1.8129 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2393 3.4072 2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8909 4.2194 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 3.3423 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7592 1.6084 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8281 0.9557 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 -0.0203 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 -0.8290 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 1.0858 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 0.6367 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -1.1928 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 -1.7019 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 -0.2616 3.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -1.5388 2.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 1.4039 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.6198 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6761 -0.4305 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 -1.1407 -2.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 0.0759 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -4.5542 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 -3.0796 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 -3.2771 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 -3.3926 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 -1.2614 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -0.9243 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9921 -1.3910 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -1.1585 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5153 1.0767 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 0.9244 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 2.1896 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 0.8593 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5554 0.9324 2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 -0.5497 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9875 3.1395 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4509 1.7887 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6929 4.7086 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8999 5.3323 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2459 2.3010 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5198 3.3630 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2846 3.8440 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5919 4.7280 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4966 3.1338 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0182 2.8207 -0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8425 1.2859 -2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3135 0.9652 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4526 -0.5951 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9078 0.6425 -3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6865 0.6761 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -2.2476 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 -2.7385 -2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -4.7343 -3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 -6.2540 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 -5.7054 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 -8.0015 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -7.8446 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 -9.8152 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 -8.6852 -1.6822 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 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 21 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 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 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 21 80 1 6 22 81 1 0 22 82 1 0 26 83 1 0 26 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 31 94 1 0 32 95 1 0 32 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 48114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 M END