HMDB0281748 RDKit 3D PS(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 129128 0 0 0 0 0 0 0 0999 V2000 6.1994 10.4836 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 10.5429 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 9.1547 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 8.1600 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 6.7809 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 6.6947 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 5.9272 1.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 5.1183 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 3.7040 1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 2.9655 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 3.3070 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 3.0628 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 2.1995 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3682 1.4168 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 1.7254 -1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 1.4093 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0797 -0.0320 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -0.9335 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8351 -0.4538 -2.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 -2.2969 -1.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2006 -3.0855 -2.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -3.1282 -3.0842 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7466 -3.6365 -4.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 -3.4204 -4.9244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 -3.9122 -6.4983 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2786 -4.7239 -7.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -4.9555 -6.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 -2.6019 -7.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -2.3721 -7.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0371 -1.2300 -8.3703 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4854 -1.1067 -8.2264 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 0.0614 -8.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0313 -7.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 0.2978 -8.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -3.7947 -2.2313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -3.4414 -1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -2.2974 -1.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -4.5511 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 -5.4558 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 -6.6180 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 -7.3310 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 -7.5948 1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1309 -7.2592 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 -6.4177 3.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 -5.2396 3.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -4.6715 2.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 -4.5274 3.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -3.4003 3.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -2.0679 3.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -1.2278 4.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -0.6679 4.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -0.8322 3.9399 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0688 -0.1969 2.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -0.1465 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 1.3252 4.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 1.9337 5.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 3.4291 5.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 10.5846 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 9.5319 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9001 11.3217 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 11.2889 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 10.8746 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 9.2907 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8235 8.9074 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 8.0772 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 8.4660 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3494 6.6401 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 5.9829 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 7.2718 2.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 5.8682 2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 5.2891 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 5.4340 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 3.2608 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 1.9156 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 4.4168 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 2.8755 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 3.5927 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 2.0337 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 1.4452 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 0.3398 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 2.8639 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4963 1.3959 -2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7092 1.6533 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 2.0672 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 -0.3080 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0504 -0.1828 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 -2.7460 -3.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5284 -4.1162 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -2.0614 -3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 -4.7066 -4.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 -3.0199 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -4.4907 -6.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0855 -3.3015 -7.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -2.1750 -6.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -1.4312 -9.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 -0.7571 -7.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.4036 -8.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3508 1.1886 -7.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -5.0210 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 -4.0248 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 -4.8359 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.7603 -2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -7.3134 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 -6.2516 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8028 -7.6430 -0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -8.1314 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -8.2601 2.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 -6.9792 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -6.8159 3.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 -4.6645 4.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -5.1106 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -3.6086 2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -5.4287 4.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 -3.4215 4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 -1.5846 2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 -2.0063 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.1043 5.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -0.0604 5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 -1.8916 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.7748 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 -0.6389 5.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 -0.3510 3.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 1.4666 5.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 1.8485 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 1.7595 4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.4906 6.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 3.9129 5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 3.8471 4.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 3.6386 6.4772 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 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 29 93 1 0 29 94 1 0 30 95 1 6 31 96 1 0 31 97 1 0 34 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 51118 1 0 52119 1 6 53120 1 0 54121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 57129 1 0 M END