HMDB0011280 RDKit 3D PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -7.4863 2.6132 6.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7716 2.4282 5.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5874 2.6704 4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0827 1.7328 3.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6395 0.3794 3.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6463 -0.6460 4.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 -1.5697 3.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7289 -1.7350 1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4008 -3.0418 1.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 -3.9643 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8838 -3.8526 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8503 -4.8694 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 -4.5944 0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 -3.2484 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 -3.0675 2.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 -1.7129 2.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 -0.5629 1.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 0.7315 2.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8885 1.1214 3.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 1.5063 1.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 2.7195 1.3042 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5493 3.8810 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 3.7683 -0.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3035 4.8244 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 4.6664 -2.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 3.4142 -3.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 2.2272 -2.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 1.0264 -3.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 1.2149 -4.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 -0.0116 -5.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 0.1295 -7.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 0.3333 -6.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -0.7275 -6.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1817 -1.1707 -5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1399 -1.0392 -4.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 -0.4433 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -1.4815 -4.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 -1.9803 -2.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -3.0000 -2.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9893 -2.4057 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 -3.4226 -2.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 2.6709 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 1.6876 1.3043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 1.6578 0.6627 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2248 2.9348 -0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 0.4087 -0.4867 O 0 0 0 0 0 1 0 0 0 0 0 0 4.9678 1.3001 1.8793 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 2.2038 2.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9593 1.8294 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 0.5666 4.5800 N 0 0 0 0 0 4 0 0 0 0 0 0 6.7949 -0.3486 4.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -0.0521 4.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 0.5924 6.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5151 3.6979 7.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5354 2.1285 7.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 2.1310 7.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5062 3.2634 5.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3302 1.5287 5.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0852 3.6711 4.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1872 1.9414 3.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5193 0.1784 4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 0.2423 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 -0.5840 5.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.3022 3.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7807 -1.6528 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3369 -0.9012 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2776 -3.1796 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5876 -4.9157 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -2.8583 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3489 -4.0389 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -5.9250 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -5.4221 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6546 -2.4108 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -3.1803 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 -3.2331 2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -3.8321 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -1.6786 3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -1.6737 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 -0.5841 2.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -0.5973 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 2.9042 2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 4.7963 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 4.1235 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 5.8240 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 5.5771 -3.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4339 3.6007 -4.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9094 3.1564 -3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 1.9898 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 2.3846 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 0.9628 -3.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 0.0802 -3.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 1.3843 -4.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 2.0632 -5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 0.0129 -6.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -0.8988 -5.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 -0.7961 -7.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 0.9430 -7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 0.5039 -8.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 1.2857 -6.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 -0.6140 -6.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -1.6691 -7.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 -1.6815 -4.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -1.3944 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 0.1113 -5.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 0.3303 -3.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -2.3521 -4.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -0.9591 -4.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8003 -1.1169 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 -2.3883 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6461 -3.3758 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -3.8668 -3.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1743 -1.5335 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -2.0885 -3.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -3.5859 -3.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 -3.0411 -1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6707 -4.3623 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 2.4239 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 3.6657 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 2.4172 3.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 3.1842 2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 1.9525 3.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 2.6125 4.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 0.0170 4.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -1.3850 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 -0.3036 2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2532 -0.7806 5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 0.6379 4.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -0.6643 3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1027 0.4237 6.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 1.5300 6.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4711 -0.2568 6.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 1 22 82 1 0 22 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M CHG 2 46 -1 50 1 M END