HMDB0008430 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) 132131 0 0 0 0 0 0 0 0999 V2000 1.1435 -2.8636 -5.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 -1.3745 -4.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 -1.1470 -3.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 0.3119 -3.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 1.0497 -4.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 2.4749 -3.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 3.1004 -3.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 2.4229 -4.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 2.6111 -2.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 1.6558 -2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 0.2204 -2.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -0.2590 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -1.2735 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 -1.9898 -0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5847 -1.9938 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0165 -1.4312 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2554 -0.5524 1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3941 -1.0664 3.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9425 -2.4041 3.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5038 -2.7162 3.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9922 -3.2307 2.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -2.4285 4.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 -2.5953 4.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5183 -1.8245 3.9203 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8941 -0.3757 4.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 -0.0506 5.4439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1071 1.5587 5.7631 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2473 1.5700 6.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5732 2.3198 4.3450 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7549 2.2833 6.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 2.5569 5.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 3.2008 6.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 3.5346 5.3766 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1387 2.2902 4.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 4.2206 4.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 4.3464 6.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -2.3201 2.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -2.9207 1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -2.9581 2.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -3.4750 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -3.9850 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 -4.5517 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -5.1188 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -4.3288 -1.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -3.6631 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -2.9642 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 -2.3783 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9676 -1.1095 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -0.1037 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 0.9450 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 1.9948 -1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 2.7453 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 3.8044 -2.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 4.8714 -2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -3.0245 -5.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -3.4221 -4.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -3.1424 -5.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -0.8891 -5.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8754 -4.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -1.5930 -3.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -1.7024 -2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 0.7486 -3.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 0.4468 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 0.5021 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 0.9882 -5.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 3.0835 -3.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 4.1900 -3.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 1.4164 -4.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7282 3.0516 -4.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3272 3.6799 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 1.8508 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 -0.2368 -2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 0.0193 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 0.2282 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 -1.5442 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4956 -1.9207 -1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -3.1297 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4030 -2.6442 -0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1045 -1.6060 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2396 -0.3708 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8504 0.4309 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9022 -0.3402 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4901 -0.9799 3.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -3.2180 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2683 -2.5947 4.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -3.6929 4.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -2.2706 5.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 -1.9529 4.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -0.1798 3.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 0.3086 3.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 1.5705 5.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 3.2329 4.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 4.1206 6.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 2.5217 7.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 2.2186 3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 1.4105 5.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 2.1741 5.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 3.5118 3.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 4.8640 4.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 4.8776 3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 5.2551 6.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 4.6808 5.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 3.7601 6.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -4.3450 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 -2.7488 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 -3.2125 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0109 -4.8362 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -3.8774 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -5.4290 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -5.6215 -2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 -6.0610 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 -3.5259 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -4.9420 -2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -4.3116 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 -2.7553 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -2.2815 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9109 -3.7572 -1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9281 -3.0977 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 -0.7451 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5855 -0.4548 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 0.4803 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 1.4618 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 0.4777 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 1.4773 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 2.6403 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 1.9971 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1511 3.2324 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 4.3165 -2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 3.3670 -3.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 5.5418 -3.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 4.4720 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 5.4969 -1.6323 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 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 29 -1 33 1 M END