HMDB0012437 RDKit 3D PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -3.5567 -6.0551 4.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 -4.9781 5.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -4.7051 6.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7593 -4.2534 6.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.9599 5.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -1.8610 6.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -0.7437 6.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -0.3815 6.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3812 -0.0338 7.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -0.5783 7.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -1.6209 6.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -2.7834 7.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.0286 7.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 -4.5487 6.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 -5.4614 5.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9368 -5.3190 4.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 -4.1946 3.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -3.3433 2.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -2.2399 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -1.3564 1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -0.2691 2.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.6940 0.3685 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -0.8967 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0493 0.3563 -0.7073 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9343 -0.0412 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2466 1.1020 -2.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 0.8477 -3.0847 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0846 1.9072 -4.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 -0.6521 -3.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 1.0541 -2.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 1.5946 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 1.7406 -0.5128 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6072 2.6264 -1.3273 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 2.1894 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 1.5220 1.7468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 3.3509 1.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8415 1.2879 -1.4105 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 2.5884 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.9014 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 3.6706 -1.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 4.1622 -2.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5596 4.6299 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 5.0530 -3.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 5.4446 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 5.7829 -4.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 6.1025 -3.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 5.3975 -3.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0299 4.2012 -4.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 4.4441 -5.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 3.6754 -5.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 2.4418 -5.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 2.4483 -4.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 1.5547 -4.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3661 0.4800 -5.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -0.9052 -5.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5459 -1.4264 -4.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0257 -0.8002 -3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9909 -0.7509 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8946 -7.0513 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -5.9178 3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 -5.9956 4.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -5.3653 5.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3021 -4.0577 4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0808 -5.6090 7.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 -3.8976 7.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 -5.0303 5.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2032 -4.0228 7.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 -2.7744 4.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 -3.1864 4.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 -1.9945 6.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0290 7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -1.1386 5.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 0.5473 5.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 0.7643 7.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -0.1577 8.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.1690 6.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 -1.9647 5.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1297 -2.5417 8.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -4.7617 8.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 -5.2580 6.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1293 -3.7791 5.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 -6.3338 6.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 -6.1017 3.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 -3.5284 4.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -4.6304 2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 -4.0215 2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -2.8826 3.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -1.6309 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 -2.7093 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5739 -0.6103 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -1.4424 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 0.8497 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 -0.8753 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -0.3734 -2.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -1.3326 -3.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 2.5773 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1259 0.9244 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3226 0.7171 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 3.6240 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 2.3856 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 3.3982 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6870 3.2462 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 4.5399 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7828 3.3960 -3.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4582 5.0201 -3.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 5.5612 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 3.9241 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 5.9966 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 4.2931 -4.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 4.6135 -2.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 6.2816 -2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 6.7793 -4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 5.1086 -4.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 6.9951 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 5.6970 -3.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 3.3542 -3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 4.0717 -5.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 5.3712 -6.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7696 3.8967 -6.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 1.6151 -5.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 2.1631 -4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 3.2572 -3.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4084 1.6872 -4.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 0.5160 -6.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 0.5536 -6.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2391 -1.5777 -5.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 -1.1199 -4.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4674 -1.4611 -5.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4236 -2.5459 -4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5786 0.1220 -3.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8207 -1.5326 -2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 -0.8595 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -1.6120 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4459 0.2195 -1.9948 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 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 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 1 33 99 1 0 33100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END