HMDB0280959 RDKit 3D PS(18:1(12Z)-O(9S,10R)/14:1(9Z)) 119119 0 0 0 0 0 0 0 0999 V2000 -13.1805 2.9520 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1908 3.6284 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1288 4.3991 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3202 3.4763 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6623 2.4177 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 2.2367 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 3.0484 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4287 3.6754 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6214 2.9783 -1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 2.0067 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7752 0.6830 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 0.3939 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 0.9913 1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 0.5057 1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 0.9625 2.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 -0.3708 1.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 -0.7963 1.0662 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5857 -0.6414 -0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 -1.0600 -0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 -0.4990 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 0.4669 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -0.9394 0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3447 -2.1336 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -2.2194 -1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -1.4098 -2.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3853 0.0009 -2.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 1.0977 -2.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 1.1062 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 2.2843 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.2668 0.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 2.2767 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 1.0803 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1558 0.4916 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4351 0.4006 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0976 0.8590 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1511 1.9009 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2102 1.3848 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9753 0.2137 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6670 0.5971 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -2.3126 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 -2.8720 1.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -4.5505 1.5854 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2110 -5.0238 1.9682 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -4.9771 2.7411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 -5.2172 0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -5.7852 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -6.3615 -1.2072 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2724 -5.3093 -2.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 -6.9512 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 -6.5214 -1.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8689 -7.9933 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1767 2.9694 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2814 3.5144 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8940 1.8895 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7123 2.8707 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7121 4.3645 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6053 5.1406 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4969 4.8978 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1071 2.9341 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7354 4.0206 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3068 1.7010 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9760 1.3880 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9408 3.9459 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8827 2.6155 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7015 4.3338 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9719 4.5273 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 2.5488 -2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1623 3.8271 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 1.9231 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 2.5344 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 0.0933 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 0.0639 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0712 -0.7556 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3613 0.5096 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 0.6564 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 2.1010 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 -0.3702 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -1.3163 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.3818 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -1.2854 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 -0.1371 0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 -2.4467 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.9822 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -3.3580 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 -2.2546 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -1.6582 -2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2666 -1.9327 -3.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 0.1390 -3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 0.2732 -4.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 1.2480 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 2.0672 -2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 0.1468 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 1.1111 -2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 3.2735 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 3.2630 0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 0.2795 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 1.3219 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 0.0956 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0532 -0.0779 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 1.3369 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5472 -0.0027 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6116 2.7093 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5758 2.2802 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8229 1.1258 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9492 2.2068 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3534 -0.6656 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7659 -0.0948 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 1.2973 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1620 -0.3309 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 0.9912 2.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -2.8051 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -2.5672 2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 -4.5758 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -6.6381 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -5.0598 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -7.1474 -1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -4.8033 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 -5.7079 -3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4401 -8.7832 -0.5836 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 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 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 17 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 2 0 49 51 1 0 31 29 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 17 77 1 1 18 78 1 0 18 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 44113 1 0 46114 1 0 46115 1 0 47116 1 6 48117 1 0 48118 1 0 51119 1 0 M END