HMDB0260722 RDKit 3D PE(14:1(9Z)/20:4(5Z,8Z,11Z,13E)+=O(15)) 116115 0 0 0 0 0 0 0 0999 V2000 -4.1226 0.0783 -4.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4737 1.0185 -5.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 1.3332 -5.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 1.9857 -4.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 2.2944 -3.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 1.8389 -2.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 0.9587 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -0.3663 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -1.2721 -2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -0.8827 -3.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -1.0112 -2.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -0.5799 -3.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.8785 -4.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 1.7146 -3.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 2.3048 -3.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 1.9477 -1.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 2.7688 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 2.8261 0.2726 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0067 1.5605 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 1.6721 2.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 0.2138 3.0326 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7993 -0.2014 2.9815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 0.4067 4.6685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 -1.0232 2.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -2.2303 2.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 -3.3701 2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 -3.1889 0.5595 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 3.2697 -0.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 4.4256 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 5.0244 1.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1193 4.9892 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 4.5507 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 4.6859 1.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 4.4285 2.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 3.4704 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 2.4532 3.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 2.6881 5.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.8728 6.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 0.5797 5.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 -0.4824 6.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 -1.5742 5.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 -1.8755 4.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -3.0252 3.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 -3.4433 2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -4.5758 2.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 -2.6086 1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7439 -3.2166 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 -3.6024 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -4.1971 -1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -3.1662 -2.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 -0.6291 -5.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3464 -0.5618 -4.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 0.6567 -4.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 0.5544 -6.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 1.9708 -6.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 0.3440 -5.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 1.9753 -6.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 1.2441 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 2.9286 -4.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 2.9631 -4.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 2.1743 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 1.4722 -0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 0.8643 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -0.8683 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 -0.2554 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 -1.4156 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.2914 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 -1.6123 -4.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.1135 -3.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 -2.0852 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.4479 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 -0.8593 -3.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -1.1082 -4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 1.2484 -4.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 1.0476 -5.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 2.3433 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 3.7840 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 3.6036 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 0.6964 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 1.3053 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -0.0353 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0424 -2.3462 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 -2.2675 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2661 -3.3745 2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -4.3422 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -3.2548 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -3.8092 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 6.1223 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 4.8963 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 3.5062 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 5.1837 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 5.7961 2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 4.0958 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 5.1216 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3193 3.4180 3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 2.5720 3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 1.4203 3.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 3.6439 5.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 2.1859 7.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 0.5646 6.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 0.4375 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -0.3524 7.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 -2.3029 6.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -1.2095 3.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 -3.6875 4.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 -2.2495 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.6689 1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3976 -4.1133 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 -2.4431 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -2.7482 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 -4.3506 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 -5.0817 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -4.4833 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 -3.3127 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 -2.1651 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -3.2864 -3.6316 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 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 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 17 76 1 0 17 77 1 0 18 78 1 1 19 79 1 0 19 80 1 0 23 81 1 0 25 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 41103 1 0 42104 1 0 43105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 50116 1 0 M END