HMDB0287631 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 141140 0 0 0 0 0 0 0 0999 V2000 1.2367 5.0678 -4.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 4.6778 -4.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 5.9271 -4.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 6.3704 -5.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 5.7817 -6.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 4.5270 -7.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1689 3.4413 -7.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 3.3555 -7.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9337 2.3414 -6.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 2.5412 -5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0591 3.9505 -4.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4952 3.8891 -4.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1396 4.2619 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6499 4.8386 -2.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 5.1790 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5227 4.6316 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 3.6109 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1251 3.0895 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 3.5738 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 3.3381 -0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 2.8367 1.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 3.1342 3.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0092 2.4201 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 2.6237 5.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 1.5101 4.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 0.8088 5.2614 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0560 1.2166 5.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 1.0451 4.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 1.4527 4.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 1.9493 5.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 1.4204 3.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 2.8117 3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 2.8392 2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 2.1158 0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 2.4021 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 2.1560 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 2.4798 -1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 1.6367 -2.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 0.2117 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 -0.1157 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.5382 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 -0.7605 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -2.1872 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -3.0330 1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -2.7550 1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 -3.3888 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -4.2453 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -4.7710 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -6.2966 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 -0.6239 5.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -1.4270 4.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -2.9590 4.6634 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3993 -2.9826 3.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -3.0741 6.3069 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1663 -4.2432 4.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -5.2392 3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -6.4224 3.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 -7.4559 2.5257 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.7359 -8.7692 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 -7.2864 2.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -7.4978 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 5.4293 -5.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 5.9385 -3.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 4.2384 -3.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 3.9061 -5.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 4.1621 -3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 6.5488 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 7.3919 -5.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 6.5394 -7.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 5.8394 -6.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3862 4.4447 -7.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6644 2.5078 -7.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 4.2852 -7.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0161 2.8677 -8.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5716 1.3170 -6.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7427 1.7812 -4.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4742 4.1941 -3.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 4.6555 -5.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1059 3.4787 -5.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2738 4.1275 -3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3199 5.7938 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0244 4.2314 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8462 6.0003 -2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 4.9953 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9349 3.2239 -0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 2.3237 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 4.6538 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 3.9359 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 3.2653 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 1.7475 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 2.8756 3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 4.2387 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9044 1.2318 6.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 0.7347 6.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 2.3184 5.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 0.8954 2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 0.8575 3.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 3.3022 4.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 3.4477 2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 3.9470 1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7899 2.4925 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0197 2.2508 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 0.9827 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 3.4645 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 1.7952 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.1325 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 2.8762 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9771 3.5184 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 2.0033 -3.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -0.3562 -2.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.0670 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 0.0148 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 -0.7602 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -0.2084 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -0.3168 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -2.5401 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -4.0587 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -2.8258 2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9723 -1.6220 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 -3.1240 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -4.6503 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 -4.2942 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -4.7094 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 -6.5387 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -6.6825 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 -6.7175 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.7743 5.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 -1.1032 6.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 -4.7525 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 -5.5423 4.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -6.8360 3.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 -6.1641 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 -8.6688 3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -9.1300 3.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -9.5008 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1246 -8.0318 2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 -7.5510 3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -6.3062 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -7.6078 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 -6.5175 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -8.3355 0.7351 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 1 0 34 35 1 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 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END