HMDB0011333 RDKit 3D PC(P-18:1(9Z)/P-18:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -5.1245 0.1369 -4.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 -0.8101 -3.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -2.1894 -3.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -3.2178 -2.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 -4.5619 -3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -4.5543 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -5.8940 -3.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 -6.5829 -3.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -6.1699 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -6.0875 -1.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -5.6209 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -5.5223 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -4.9867 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -5.5975 2.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -5.3572 2.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 -3.8748 2.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 -3.7954 3.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -2.7763 2.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4734 -1.7326 2.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -0.7332 1.4877 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1338 -0.8911 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4684 -1.7172 -0.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -2.2927 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6328 -1.8548 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3414 -0.5894 -2.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1408 0.2653 -3.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 0.6336 -4.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 1.3771 -3.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 2.7652 -3.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 2.9949 -2.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 4.4453 -1.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 4.9280 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 4.2307 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 4.3980 1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 5.8519 2.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 6.5151 2.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1652 7.9639 2.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 8.7334 3.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 8.7641 2.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9695 9.4126 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 0.2897 2.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 -0.4707 2.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 0.3860 3.8378 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9700 0.9970 4.9742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -0.6806 4.5175 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5641 1.6564 3.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4999 1.1183 2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 2.2158 1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2244 1.7404 0.5031 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0548 2.4578 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 2.0100 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 0.3304 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7978 -0.1226 -5.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 1.1944 -4.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -0.0881 -4.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 -0.4625 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5989 -0.8144 -3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -2.0760 -3.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -2.4626 -4.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 -3.2432 -2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9325 -2.9448 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0766 -5.3236 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 -4.8865 -4.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -3.8300 -4.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8543 -4.1466 -2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2097 -6.3029 -4.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6883 -7.5768 -3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6039 -6.9649 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 -5.2737 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 -5.3157 -2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -7.0584 -2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -6.5415 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 -4.7229 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 -6.4888 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 -4.8228 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 -5.1352 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 -3.8530 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -5.3205 3.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -6.7146 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 -5.8611 3.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -5.6646 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9531 -3.6752 3.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 -3.2159 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5672 -4.5876 3.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9329 -2.8614 3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 -0.1040 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 0.1761 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8296 -1.2383 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 -3.3076 -1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 -2.4560 -3.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 0.0218 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -0.8695 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 1.1107 -3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 -0.3777 -4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 1.1334 -5.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.3622 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 0.8318 -2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 1.4301 -4.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 3.2557 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 3.3498 -3.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 2.6543 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.4615 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 5.0902 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 6.0372 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 3.1649 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 4.6200 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 3.8982 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 4.0077 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 5.8942 3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 6.4097 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 6.5547 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 6.0381 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 8.0131 3.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 8.4627 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 9.7450 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 8.2751 4.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 7.7469 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 9.4074 2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 8.6536 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2624 10.2348 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 9.8932 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 1.1041 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 0.5463 3.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 0.4509 2.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 0.4971 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 2.7713 2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 2.9307 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 2.0692 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 2.2798 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 3.5581 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 1.5115 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 3.1041 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2366 1.7274 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 -0.2912 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8281 0.1377 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 0.0172 -0.1224 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 20 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 20 86 1 6 21 87 1 0 21 88 1 0 23 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 50128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M CHG 2 45 -1 49 1 M END