HMDB0112292 RDKit 3D PS(14:1(9Z)/24:1(15Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -17.8269 2.2921 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3825 2.7908 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6283 2.0714 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1560 2.4687 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5325 2.1295 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5229 1.3154 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8685 0.6153 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3911 1.0107 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2519 2.4771 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8208 2.8836 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1141 2.1862 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6738 2.6683 2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 2.4054 0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 0.9552 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 0.0427 1.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 0.6603 -0.5641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5699 -0.4815 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -1.1326 -0.4373 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8450 -2.0001 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -2.7363 0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 -3.7263 1.4621 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4125 -4.1781 2.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5886 -2.7760 2.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4184 -5.0464 0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 -4.9214 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7859 -6.1725 -0.6643 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8557 -7.2645 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4843 -6.0439 -1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3436 -5.1629 -2.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2213 -6.9343 -3.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 -0.2621 -0.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.2024 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -1.0847 -1.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 0.8954 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 0.9454 -1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9205 -0.2553 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 -0.0507 -1.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 -1.0551 -1.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7716 -1.1040 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2229 0.2233 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2424 0.9736 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 0.5596 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 0.2377 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -0.9925 1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 -2.1949 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8863 -2.3095 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6671 -2.5270 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 -1.7844 1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 -0.5919 0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6462 -0.7226 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1741 0.5394 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9775 1.7498 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 3.0553 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8138 3.3753 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6324 2.6000 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0390 3.2849 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5335 3.0923 -0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9640 1.3699 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0810 2.0543 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9756 2.6112 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4149 3.8676 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1171 2.2077 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6473 0.9739 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7600 1.9982 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1666 3.5754 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9522 2.6053 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1600 1.1568 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8284 -0.4824 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3436 0.6513 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8401 0.7411 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9066 0.4726 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7179 2.7783 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7457 3.0588 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 2.5563 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6902 3.9752 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0553 1.0965 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5767 2.4096 2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6626 3.7404 2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2244 2.1138 2.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8562 2.8673 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2802 2.9295 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 -1.2547 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3566 -0.3642 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -1.8766 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 -1.5351 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -2.8437 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2432 -2.6395 3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6878 -4.0703 -0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1934 -4.7995 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5258 -6.4338 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8718 -6.9866 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0933 -8.0815 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 -6.7969 -3.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 1.8791 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 0.7705 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 1.0169 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 1.8324 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 -0.3208 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 -1.1483 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.1508 -2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 0.9917 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -0.9757 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -2.0726 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 -1.9098 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 -1.3841 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 0.9261 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 0.1532 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 1.4706 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.9684 0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1209 1.4645 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 -0.2897 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5797 0.2647 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 1.1618 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0682 -1.0355 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3143 -0.9960 1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7673 -2.0789 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -3.0729 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 -3.2452 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2010 -1.4973 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 -3.4367 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1123 -2.0803 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7112 -0.3674 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9206 0.2733 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1342 -0.7965 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7751 -1.5700 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2096 0.3844 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6005 0.6507 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 1.8679 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3679 1.5852 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0047 3.9060 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8182 3.2701 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8740 4.4596 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3551 3.3250 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2118 2.5033 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9393 1.5759 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4698 2.9392 -2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5896 2.9717 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8161 4.3793 -1.0853 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 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 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 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 17 82 1 0 17 83 1 0 18 84 1 6 19 85 1 0 19 86 1 0 23 87 1 0 25 88 1 0 25 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END