HMDB0008802 RDKit 3D PC(24:1(15Z)/20:2(11Z,14Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -7.7553 -6.1881 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7354 -7.2766 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7325 -7.1371 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 -5.7759 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0788 -5.6817 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 -4.4071 -1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -3.5509 -2.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1272 -3.6583 -3.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4987 -3.6954 -5.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -3.6944 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -3.6598 -4.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 -2.4261 -4.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -2.5921 -3.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -1.4731 -3.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -1.4194 -4.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 -0.4344 -4.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 1.0117 -4.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 1.6741 -3.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 3.1919 -4.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 3.8539 -2.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 5.1373 -2.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 3.2593 -1.8973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 4.0057 -0.8909 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9171 3.5632 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 3.5562 1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 3.1495 2.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 2.8026 2.9878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 3.1149 2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 2.4442 4.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8336 2.3183 5.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 1.6594 4.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 2.3737 3.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2287 1.7325 3.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 0.3974 2.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9369 0.1015 1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 0.2667 1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3487 -0.0846 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9574 0.0382 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 -0.8846 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5325 -1.1376 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 -2.0482 1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 -1.7458 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 -0.4341 2.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -0.5230 3.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -1.3690 3.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -1.4480 5.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.2505 5.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -3.6535 5.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 -4.5069 5.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 -3.9659 4.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 3.8771 -1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 4.4107 -2.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6101 4.3454 -2.8846 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7471 4.5690 -4.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 2.9119 -2.3881 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4202 5.6259 -2.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 6.7624 -2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 7.9253 -1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5192 8.3110 -2.0792 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7589 9.6986 -1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 7.5198 -1.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 8.2138 -3.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4753 -5.3130 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -5.8541 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -6.5491 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1644 -7.1421 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -8.2731 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9462 -7.9143 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 -7.3208 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 -5.7526 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 -4.9556 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 -6.4564 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -6.0529 -2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 -4.1386 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 -2.6126 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 -2.8652 -3.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 -4.5950 -3.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 -3.7321 -5.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 -3.7238 -6.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -4.0014 -3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -4.4834 -4.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 -1.4969 -4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -2.4189 -5.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 -2.6418 -2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 -3.5402 -3.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 -1.8805 -2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 -0.5731 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -1.2903 -5.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 -2.4426 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 -0.7516 -5.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.6520 -4.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4628 1.4961 -5.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 1.2769 -5.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 1.3964 -2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 1.4250 -3.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 3.5163 -4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 3.3519 -4.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 5.1035 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 4.1683 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 2.5329 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 2.5314 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2593 4.1140 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.0051 4.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 1.4318 4.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 3.3524 5.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 1.7046 6.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 0.6141 4.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 1.5653 5.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4467 2.8087 2.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2366 3.3452 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9082 1.8653 4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7564 2.4459 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4993 0.1696 2.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0135 -0.4177 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 -0.9905 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6126 0.6698 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 1.3502 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8136 -0.2626 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 -1.0878 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 0.6975 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 0.1224 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 1.0945 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -1.8916 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -0.5110 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -1.8000 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4191 -0.2319 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 -3.0472 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -2.4974 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -0.0248 1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7612 0.2410 2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 0.4985 4.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -0.8653 4.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 -2.3704 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 -0.9038 3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 -1.8612 5.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 -0.3951 5.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 -2.2029 6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -1.7749 5.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -4.1138 5.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -3.6365 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -5.5146 4.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5275 -4.6252 6.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -3.1753 5.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 -3.5959 3.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 -4.8026 4.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9639 2.7839 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 4.3599 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 6.5291 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 7.0460 -3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 7.7632 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 8.7987 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 10.3419 -2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 9.9482 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 9.8463 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3234 8.1601 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 6.7762 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1928 7.0444 -2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 8.8634 -3.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 8.6194 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 7.1681 -3.8710 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 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 2 0 26 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 1 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 41 42 2 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 1 24 99 1 0 24100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 60152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M CHG 2 55 -1 59 1 M END