HMDB0008163 RDKit 3D PC(18:3(6Z,9Z,12Z)/14:0) 124123 0 0 0 0 0 0 0 0999 V2000 2.9690 1.9118 10.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 3.0193 10.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0707 2.9496 8.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 3.1018 8.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 3.0284 6.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 1.7600 6.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 0.9315 5.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 1.1877 4.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 0.1198 5.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -0.6711 4.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 -0.6148 2.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 -0.3149 2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.1174 1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 -2.3994 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -2.2703 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 -3.4761 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -4.6698 -0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -4.3578 -1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 -3.5673 -0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 -4.8426 -2.7691 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 -4.5285 -3.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 -3.0950 -3.7168 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6263 -2.5604 -4.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 -1.1748 -3.9614 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -0.5700 -4.2495 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1233 -1.5964 -4.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9965 0.5823 -5.5112 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.7994 0.1923 -2.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2432 -0.7569 -1.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8341 -0.1466 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9393 0.6840 0.0315 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.6287 1.9180 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 1.0429 -0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5555 0.0624 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -2.6440 -4.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -1.7281 -4.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2111 -1.2081 -3.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -1.2571 -5.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -2.2888 -5.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -1.8233 -6.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 -0.6200 -6.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -0.1037 -7.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 1.0823 -6.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 0.7324 -5.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 1.9134 -4.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 1.4800 -3.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4993 0.9092 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 0.4797 -1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -0.5622 -1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -1.8126 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 1.5446 11.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 1.0697 10.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 2.3222 11.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 2.9121 10.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 4.0024 10.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 3.7268 8.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 1.9438 8.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 4.1025 8.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 2.3643 8.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 3.8351 6.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 3.4189 6.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 1.4803 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -0.0078 5.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 1.3233 3.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 2.1311 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -0.0254 6.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -1.4379 4.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 0.2199 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -1.5078 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 0.6305 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4861 -0.8474 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -2.7591 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 -3.1721 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -1.4791 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -1.8590 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0955 -3.2358 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 -3.7647 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 -5.4828 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -5.0374 0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -4.6629 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 -5.2237 -4.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -2.5213 -2.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2448 -2.9315 -3.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9337 -2.9420 -4.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4453 -1.4974 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0356 -1.3289 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7712 0.4221 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 -0.9486 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 1.7805 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3674 2.1426 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8744 2.7217 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 1.3359 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2549 0.1578 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8114 1.9291 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7563 0.6823 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4111 0.0760 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1433 -0.9401 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9213 -1.1011 -6.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -0.2541 -5.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2399 -2.6131 -4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -3.2008 -6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -2.6300 -7.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -1.5583 -7.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 0.2000 -6.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -0.9784 -5.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -0.8598 -7.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 0.2405 -8.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.8165 -6.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 1.6071 -7.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 -0.1054 -5.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 0.4382 -4.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 2.7692 -4.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 2.2167 -5.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 2.4263 -3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2222 0.8204 -3.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.0057 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 1.6198 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5894 0.0409 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 1.3639 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 -0.1226 -2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8345 -0.8582 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 -2.7561 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 -1.8932 -3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -1.8574 -2.2711 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 31 32 1 0 31 33 1 0 31 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 1 23 83 1 0 23 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 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 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M CHG 2 27 -1 31 1 M END