HMDB0008067 RDKit 3D PC(18:1(11Z)/16:0) 134133 0 0 0 0 0 0 0 0999 V2000 -3.5211 -4.0137 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 -2.5717 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -2.0206 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.6332 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 0.0610 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 1.0285 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -0.0589 2.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.0704 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 0.8066 3.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0057 0.7319 4.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 1.2099 5.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 1.1219 6.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 -0.3166 6.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 -1.1906 5.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -2.5877 6.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2696 -3.4049 4.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -3.3905 4.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -3.7997 3.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 -4.2017 2.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -3.7427 2.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -3.9634 1.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 -3.1658 0.3925 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3929 -4.2151 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -3.6553 -1.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -4.5453 -3.0199 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5747 -5.6972 -2.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 -4.9066 -4.4216 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0786 -3.3049 -3.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 -2.5613 -4.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -1.2086 -4.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -0.4202 -5.6810 N 0 0 0 0 0 4 0 0 0 0 0 0 2.1894 -1.1276 -6.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 0.8226 -5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 -0.0657 -6.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 -1.8870 0.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1379 -1.0482 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8772 -1.5136 -1.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 0.4152 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 1.2248 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 2.7105 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 3.0981 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 4.5296 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 4.6869 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 3.7325 -1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 3.7473 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 4.9695 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 4.8598 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8106 4.0711 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9945 2.6584 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 1.8796 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 2.2631 -3.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7285 3.6540 -3.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 -4.5567 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 -4.4373 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 -4.2662 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 -2.0196 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -2.1900 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -2.6150 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 -2.0468 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.4518 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 -0.0670 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -0.5743 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 0.6209 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 1.4476 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 1.5780 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -0.9400 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -1.0696 3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 0.2791 3.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 1.8406 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 -0.3672 4.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 1.2620 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.8936 4.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 2.3406 4.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 1.6651 6.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 1.6651 7.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 -0.6645 7.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8636 -0.2460 7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -0.6979 5.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 -1.1253 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -3.1191 6.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -2.6844 6.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -2.8706 4.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -4.3714 5.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -4.2091 5.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 -2.5088 4.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 -4.1837 2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -5.0416 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 -3.1916 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -5.1232 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 -4.3637 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -3.2153 -5.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -2.4478 -4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 -1.2520 -4.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -0.6372 -3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 -0.6053 -7.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 -2.1429 -6.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -1.1087 -6.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 1.5592 -6.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 0.7563 -5.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 1.2589 -4.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 -0.9269 -7.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 0.7678 -7.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 0.2940 -5.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 0.8597 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 0.7321 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 1.1993 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 1.0706 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3378 2.6872 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 3.2451 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 2.3979 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4431 3.0604 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 4.6930 -1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 5.2307 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 4.6591 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 5.7236 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2684 2.7089 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 3.9781 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 2.8295 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 3.6059 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 5.8689 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 5.2257 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 4.5489 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 5.9297 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6643 4.3201 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 4.6489 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6535 2.0580 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1307 2.3762 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4026 1.7003 -2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 0.8050 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.5401 -4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1405 2.0201 -3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 4.2417 -3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 3.6959 -5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 4.1307 -3.3898 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 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 50 51 1 0 51 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 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 M CHG 2 27 -1 31 1 M END