HMDB0276517 RDKit 3D PI(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/18:1(11Z)) 144144 0 0 0 0 0 0 0 0999 V2000 -0.3327 3.4208 6.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 2.6831 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 1.6422 4.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 0.4114 5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 0.7736 5.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 -0.4660 5.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -0.4582 6.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 0.4495 6.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 1.8828 6.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4055 2.6222 5.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 2.1502 4.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 2.9244 3.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3503 2.4855 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 1.0565 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8784 0.4868 0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7899 0.3564 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 1.5574 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0691 1.1880 -2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 1.1352 -3.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7633 0.9373 -1.7054 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 0.6209 -2.6829 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1453 -0.6796 -2.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 -0.8155 -1.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -0.9071 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -0.8907 -0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -1.0198 1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -2.4345 1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -3.2712 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -4.6514 2.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5216 -5.3075 2.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 -5.4751 1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 -5.9535 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -6.7852 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -7.2972 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -7.1316 -2.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 -6.5201 -3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 -5.9732 -4.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -5.8688 -3.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 -5.3013 -4.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -5.1682 -3.3395 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2656 -6.4475 -3.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 -4.2326 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4222 -2.7999 -4.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 -2.0873 -4.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 -2.0752 -4.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0901 -1.1916 -5.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 1.7926 -2.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 1.6404 -3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 2.9332 -3.6861 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4636 4.2251 -3.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 3.1393 -5.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 2.7396 -2.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 3.3043 -1.3848 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3770 2.3082 -0.2769 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2036 2.9443 0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 1.8352 -0.3081 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2095 1.4652 -1.5823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 2.9996 0.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4007 3.3875 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 4.1217 -0.8515 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1646 3.7930 -2.0292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 4.5047 -1.0798 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0212 5.3461 -2.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 3.4751 5.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 3.2067 7.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 4.5235 6.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.2318 6.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 3.4508 5.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 2.1681 3.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 1.3590 4.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -0.3243 4.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.0368 6.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 1.3649 4.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 1.2919 6.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -1.0487 4.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7456 -1.1805 6.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -1.5185 6.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6331 0.1367 7.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 2.1848 6.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 2.2487 7.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 2.5970 6.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 3.6919 5.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 1.0693 4.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3397 2.3808 3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2029 4.0026 3.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3509 2.6725 3.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 2.7028 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 3.0990 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6862 0.8462 2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 0.4066 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3793 -0.5571 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 1.0352 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1852 -0.1568 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0543 -0.3993 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 1.9754 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7726 2.3128 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 0.6011 -3.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -0.9708 -3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9678 -1.4643 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 -0.5168 2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -0.4683 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 -2.4231 2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 -2.8744 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -2.7923 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 -3.2981 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -4.5882 3.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 -5.0528 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -5.7549 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -5.7228 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -6.9745 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 -7.9492 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -8.2008 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 -6.6786 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -6.5222 -4.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 -5.5608 -5.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -6.1633 -2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2384 -4.9774 -5.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -4.8063 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 -6.4150 -2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -4.3856 -3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9053 -4.6393 -5.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -2.3000 -4.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 -2.4017 -2.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 -2.3145 -5.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -0.9680 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -2.9965 -4.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9677 -1.5213 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7687 -0.7013 -5.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 -1.8723 -5.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 -0.5110 -4.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 2.7016 -2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 1.8653 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 3.1626 -5.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 3.6908 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 1.4605 -0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 2.3126 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 0.9855 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 1.4765 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7507 2.7097 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 4.3732 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 5.0145 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0861 4.5092 -2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 5.0224 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3868 6.1159 -2.0531 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 53 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 1 30107 1 0 31108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 1 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 51133 1 0 53134 1 6 54135 1 6 55136 1 0 56137 1 1 57138 1 0 58139 1 1 59140 1 0 60141 1 1 61142 1 0 62143 1 1 63144 1 0 M END