HMDB0008300 RDKit 3D PC(20:1(11Z)/18:0) 146145 0 0 0 0 0 0 0 0999 V2000 -2.8904 4.4590 -2.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 4.4689 -3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4838 3.3203 -3.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7919 1.9923 -3.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 0.8132 -3.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 0.7737 -2.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 0.6927 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7211 -0.5700 -1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 -0.4477 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -1.2390 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 -2.4815 0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 -2.5689 2.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8338 -2.5679 2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4032 -2.7963 3.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -2.7608 3.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7513 -1.4583 3.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 -1.3828 3.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -2.3008 2.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 -2.2626 2.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -3.2779 1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 -4.3450 2.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 -3.1355 0.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -3.9599 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -3.2610 -1.6830 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8997 -2.7088 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8536 -2.2043 -3.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -3.0498 -5.1524 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7367 -4.1684 -5.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9965 -2.0070 -6.4268 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1567 -3.6025 -5.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 -4.6723 -5.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -4.7560 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 -3.6328 -5.4369 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0307 -4.0122 -5.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 -3.1932 -6.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 -2.4691 -4.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 -2.5996 -1.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -2.8973 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -3.8369 -1.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -2.2054 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 -0.8150 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 0.1793 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 1.5573 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 1.9945 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3922 3.2970 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 2.9533 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 4.2164 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 3.9960 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 3.1752 2.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 2.9234 3.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 2.0986 4.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 2.4207 5.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 3.7155 5.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 4.0102 6.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 4.2524 5.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 3.3045 4.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 5.2859 -2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 4.6623 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 3.5069 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 4.3989 -4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0205 5.4507 -4.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2105 3.3699 -3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9893 3.3890 -4.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 1.8893 -4.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0264 1.8847 -3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 1.0772 -4.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 -0.0873 -4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1116 1.6927 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2068 -0.0930 -2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1993 0.6636 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 1.6238 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.7965 -2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 -1.4094 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 0.5135 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -0.8844 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -2.5658 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -3.3730 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 -1.6503 2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -3.4471 2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 -3.3333 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -1.5384 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -2.1009 4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -3.8472 3.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -2.9588 4.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -3.6197 3.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 -1.0774 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -0.6894 4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -0.3253 3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -1.4739 4.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 -1.8395 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -3.3385 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8031 -1.2729 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 -2.5483 3.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 -4.9490 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 -4.0489 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -4.1926 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 -1.8231 -2.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 -3.4162 -3.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 -4.8454 -6.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 -5.5950 -5.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 -5.6628 -5.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -4.9568 -4.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2577 -5.0338 -5.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -3.2386 -5.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 -3.9535 -4.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 -2.6050 -6.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 -4.0563 -7.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 -2.4892 -7.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -2.2676 -4.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 -1.6033 -5.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 -2.5326 -3.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -2.7856 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 -2.4662 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -0.4832 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -0.6462 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 0.0962 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -0.1184 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 2.2628 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 1.6198 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 2.3968 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 1.3210 -1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 4.0304 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 3.7960 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 2.2322 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 2.4998 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 4.9257 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 4.7782 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 3.6743 3.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 5.0209 2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 2.2205 1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 3.7811 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 3.9285 4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4227 2.4309 3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 2.0874 5.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 1.0067 4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 1.6603 6.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 1.9948 4.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 4.5761 5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 3.6951 6.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 3.2087 7.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1422 4.9209 7.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2092 4.5658 6.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 5.2598 4.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 2.5182 4.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 2.8387 4.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 3.9051 3.5450 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 1 0 8 9 1 0 9 10 2 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 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 1 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 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 56146 1 0 M CHG 2 29 -1 33 1 M END