HMDB0287511 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 137136 0 0 0 0 0 0 0 0999 V2000 4.0476 5.1541 7.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 5.2183 7.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 3.9652 6.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6317 3.8013 5.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2298 3.8303 5.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 5.0291 6.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 5.6738 5.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 5.1785 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 4.8207 4.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 5.3403 4.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3957 6.3480 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 6.1823 1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1743 5.1456 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 3.8030 1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4454 2.8229 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9485 1.8140 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 1.4666 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7848 0.1817 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0082 -1.0205 0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 -1.0542 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -0.3290 1.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6189 -1.8460 0.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 -1.8144 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 -2.7233 0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0198 -2.6278 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 -1.3576 0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 -1.1531 1.1659 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2242 0.3422 1.4545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -1.5370 -0.0230 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2651 -2.0558 2.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -1.4542 3.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 -2.2161 4.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 -2.4319 5.4809 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1679 -1.5594 5.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -3.7967 5.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -2.2743 6.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 -2.4357 -1.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 -3.3522 -2.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 -4.5027 -1.9049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 -2.8533 -3.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 -2.1892 -3.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 -1.5830 -4.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -0.5370 -5.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 0.6905 -5.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 1.1699 -5.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 1.6906 -6.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 1.2549 -6.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 0.1193 -6.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 0.5490 -5.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 -0.0674 -6.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -1.2504 -7.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 -2.3712 -6.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -3.4665 -6.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -3.7519 -6.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4689 -4.9305 -6.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -5.3441 -6.4349 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0031 -6.7501 -6.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -4.9024 -7.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -5.4519 -7.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 6.1546 8.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 4.4343 8.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 4.9046 7.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 5.3115 7.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 6.1099 6.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 3.1186 7.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 3.6982 5.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 4.5686 4.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 2.7910 4.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 3.2116 5.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 3.0995 6.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 5.5145 7.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 6.5698 6.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 5.9678 3.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 4.2960 4.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 4.0431 5.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4768 4.9923 4.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 6.9556 3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1195 7.1889 3.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7157 7.1273 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 5.2730 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 3.4798 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1903 3.6944 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 2.9359 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 1.1416 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5448 1.2769 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 2.2794 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 0.2686 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8567 -0.0231 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5838 -1.9272 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 -1.1195 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -0.7794 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 -2.2030 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -3.7646 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -2.9592 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 -3.3983 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -0.4282 3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 -1.3483 2.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 -3.1758 4.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 -1.5908 5.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 -1.6570 5.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -1.9010 4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -0.4870 5.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 -3.8380 5.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.4984 5.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 -4.1250 4.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -1.8069 7.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 -3.2631 7.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -1.6520 7.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 -3.7202 -4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 -2.1173 -3.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -1.4664 -2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -2.9654 -3.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 -1.3706 -4.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -2.4400 -5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -0.8252 -5.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.3938 -5.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 0.5615 -4.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 2.1260 -4.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 2.5320 -6.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.6775 -7.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 -0.2269 -5.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -0.6483 -7.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 1.4135 -5.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3443 0.3255 -6.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9868 -0.9839 -8.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 -1.5916 -7.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0618 -2.2280 -6.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9848 -4.2357 -5.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 -3.0993 -7.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 -5.6349 -5.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 -5.0054 -5.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -7.0921 -5.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 -5.2397 -8.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -3.7865 -7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -5.4017 -8.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 -4.8551 -7.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -6.4906 -7.2804 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 33 34 1 0 33 35 1 0 33 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 2 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 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 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 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 53128 1 0 54129 1 0 55130 1 0 56131 1 1 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 29 -1 33 1 M END