HMDB0284416 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 134133 0 0 0 0 0 0 0 0999 V2000 -16.0761 0.9731 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8471 0.1590 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1434 1.0243 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3709 1.3781 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9972 1.0346 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2222 0.1363 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1513 0.4666 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5799 1.8203 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5061 2.2318 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3783 2.5356 -2.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0801 2.5171 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1649 1.5646 -2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 0.4983 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9215 0.2541 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3617 -0.8400 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4748 -1.6287 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -2.2522 -1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 -2.6825 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 -2.2037 1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -2.1832 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -2.6073 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 -3.7187 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 -3.7702 -1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -4.6013 -1.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -2.8300 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 -2.5419 -2.4657 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1952 -2.6857 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3367 -1.7444 -0.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -1.4678 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -2.1372 -0.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -0.4077 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4356 -0.3267 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 0.0044 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 1.1532 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 1.9504 2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 2.2159 3.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 1.9117 4.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2437 1.1464 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3987 1.9000 4.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3903 2.4798 4.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 2.6248 2.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 2.1209 1.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 1.1846 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5962 0.5474 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2992 0.8911 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 0.0226 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 -1.4252 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8505 -2.0440 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2786 -2.8890 -1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5086 -3.3164 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3340 -4.8433 -2.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -1.0014 -2.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.5943 -2.7437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 1.1259 -2.7627 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0253 1.6739 -3.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 1.5888 -2.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0746 1.6706 -1.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 1.4277 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2266 1.8728 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 3.2790 0.9731 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.8917 2.0648 -2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4802 0.5589 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1458 0.9108 -2.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9466 -0.4115 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6857 -0.6208 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1934 1.4406 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8169 2.0828 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3890 1.9639 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0489 0.5751 2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4879 -0.9436 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5997 -0.2944 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2704 2.5946 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6553 1.9266 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4183 2.2830 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3649 2.8369 -3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0318 2.4190 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6345 3.5810 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9398 1.7557 -3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9739 -0.0944 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5812 0.8528 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6049 -0.9983 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -0.8832 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8153 -3.1358 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -3.3732 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -3.3189 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2187 -1.8311 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 -1.7990 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 -2.8813 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -1.7433 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -3.4860 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1154 -4.6951 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -3.0874 -3.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 -3.6908 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8016 -2.4216 -2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 0.5697 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 -0.7005 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 -1.4615 2.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 0.0719 2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 -0.6164 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2959 1.3088 1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 1.8693 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 3.0551 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 2.8567 4.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 2.2762 5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 0.8943 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2369 0.1683 4.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 1.9349 5.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 2.9721 4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8463 2.2784 2.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 3.8003 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9118 2.6113 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5925 0.8467 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5001 -0.5650 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 0.8528 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4956 1.9604 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2418 0.3451 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9037 -1.7936 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9272 -1.7198 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 -1.7877 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3020 -3.3381 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5258 -2.9152 -3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -3.1721 -3.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2495 -5.0891 -2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 -5.2302 -2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7053 -5.3367 -3.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.7052 -3.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0328 -0.4954 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 1.0092 -2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 0.3610 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 2.0226 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 1.6062 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.3197 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1101 3.5388 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 3.4411 1.3735 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 56128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 M END